Unnamed: 0
int64
1
20.1k
Entry ID
stringlengths
4
8
Experimental Method
stringclasses
4 values
Deposition Date
stringdate
1990-04-02 00:00:00
2025-12-09 00:00:00
Release Date
stringdate
1991-07-15 00:00:00
2026-03-04 00:00:00
Ligand
stringclasses
339 values
Value
float64
0.01
183M
Type
stringclasses
5 values
Unit
stringclasses
2 values
PDB ID
stringlengths
4
8
Total Number of Non-polymer Instances
float64
1
168
Refinement Resolution (Å)
stringclasses
466 values
Structure Determination Methodology
stringclasses
1 value
DOI
stringlengths
12
34
Expression Host
stringclasses
33 values
Source Organism
stringclasses
52 values
Macromolecule Name
stringlengths
3
318
Entity ID
float64
1
16
Ligand ID
stringlengths
2
8
Ligand Name
stringlengths
5
339
Ligand SMILES
stringlengths
4
121
Protein
stringclasses
3 values
Molecular Weight
float64
150
978
8,729
4OLB
X-RAY DIFFRACTION
2014-01-23
2014-02-05
null
null
null
null
4OLB
2
2.899
experimental
10.1126/science.1221551
Spodoptera frugiperda
Homo sapiens
5'-R(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*U)-3'
2
TRP
TRYPTOPHAN
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
HSA
204.229
8,731
5D5A
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5A
15
2.4826
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CAU
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
HSA
298.386
8,734
5D5A
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5A
15
2.4826
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
8,735
5D5A
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5A
15
2.4826
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,736
5D5A
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5A
15
2.4826
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
12P
DODECAETHYLENE GLYCOL
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
HSA
546.651
8,739
5D6L
X-RAY DIFFRACTION
2015-08-12
2016-08-17
null
null
null
null
5D6L
15
3.2
experimental
10.1038/nprot.2017.057
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CAU
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
HSA
298.386
8,742
5D6L
X-RAY DIFFRACTION
2015-08-12
2016-08-17
null
null
null
null
5D6L
15
3.2
experimental
10.1038/nprot.2017.057
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
8,743
5D6L
X-RAY DIFFRACTION
2015-08-12
2016-08-17
null
null
null
null
5D6L
15
3.2
experimental
10.1038/nprot.2017.057
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,744
5D6L
X-RAY DIFFRACTION
2015-08-12
2016-08-17
null
null
null
null
5D6L
15
3.2
experimental
10.1038/nprot.2017.057
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
12P
DODECAETHYLENE GLYCOL
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
HSA
546.651
8,745
6LQA
ELECTRON MICROSCOPY
2020-01-13
2021-03-24
null
null
null
null
6LQA
10
3.3
experimental
10.1002/anie.202102196
Homo sapiens
Homo sapiens
Sodium channel protein type 5 subunit alpha
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
8,746
6LQA
ELECTRON MICROSCOPY
2020-01-13
2021-03-24
null
null
null
null
6LQA
10
3.3
experimental
10.1002/anie.202102196
Homo sapiens
Homo sapiens
Sodium channel protein type 5 subunit alpha
1
QDN
Quinidine
COc1ccc2c(c1)c(ccn2)C(C3CC4CCN3CC4C=C)O
HSA
324.424
8,752
7E7B
ELECTRON MICROSCOPY
2021-02-25
2021-03-24
null
null
null
null
7E7B
21
2.6
experimental
10.1128/JVI.00194-21
Cricetulus griseus
Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Spike glycoprotein,Collagen alpha-1(I) chain
1
VCG
2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside
CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO
HSA
604.822
8,753
7E7B
ELECTRON MICROSCOPY
2021-02-25
2021-03-24
null
null
null
null
7E7B
21
2.6
experimental
10.1128/JVI.00194-21
Cricetulus griseus
Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Spike glycoprotein,Collagen alpha-1(I) chain
1
ELA
Elaidic acid
CCCCCCCCC=CCCCCCCCC(=O)O
HSA
282.468
8,754
7E7B
ELECTRON MICROSCOPY
2021-02-25
2021-03-24
null
null
null
null
7E7B
21
2.6
experimental
10.1128/JVI.00194-21
Cricetulus griseus
Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Spike glycoprotein,Collagen alpha-1(I) chain
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
8,757
8GNG
X-RAY DIFFRACTION
2022-08-23
2023-03-22
JQ9
2.2
Ki
nM
8GNG
16
3.2
experimental
10.1124/molpharm.122.000633
Komagataella pastoris
Homo sapiens
Adenosine receptor A2a
1
JQ9
8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione
CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC
HSA
384.436
8,777
8RW0
X-RAY DIFFRACTION
2024-02-02
2025-01-08
null
null
null
null
8RW0
28
1.94
experimental
10.1038/s41467-024-55109-w
Trichoplusia ni
Homo sapiens
Adenosine receptor A2a,Soluble cytochrome b562
1
JQ9
8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione
CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)OC)OC)C)C(=O)N(C1=O)CC
HSA
384.436
8,778
8RW0
X-RAY DIFFRACTION
2024-02-02
2025-01-08
null
null
null
null
8RW0
28
1.94
experimental
10.1038/s41467-024-55109-w
Trichoplusia ni
Homo sapiens
Adenosine receptor A2a,Soluble cytochrome b562
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
8,779
8RW0
X-RAY DIFFRACTION
2024-02-02
2025-01-08
null
null
null
null
8RW0
28
1.94
experimental
10.1038/s41467-024-55109-w
Trichoplusia ni
Homo sapiens
Adenosine receptor A2a,Soluble cytochrome b562
1
OLA
OLEIC ACID
CCCCCCCCC=CCCCCCCCC(=O)O
HSA
282.468
8,781
9PWO
ELECTRON MICROSCOPY
2025-08-04
2025-12-03
null
null
null
null
9PWO
24
3.36
experimental
10.1038/s41467-025-66522-0
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1B
2
CFF
CAFFEINE
Cn1cnc2c1C(=O)N(C(=O)N2C)C
HSA
194.194
8,785
3HJO
X-RAY DIFFRACTION
2009-05-22
2009-09-22
EAA
4,000
IC50
nM
3HJO
12
1.95
experimental
10.1002/pro.253
Escherichia coli
Homo sapiens
Glutathione S-transferase P
1
GSH
Glutathione
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
HSA
307.328
8,789
4XV2
X-RAY DIFFRACTION
2015-01-26
2015-10-28
P06
1
IC50
nM
4XV2
2
2.5
experimental
10.1038/nature14982
Escherichia coli
Homo sapiens
Serine/threonine-protein kinase B-raf
1
P06
Dabrafenib
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F
HSA
519.574
8,803
5CSW
X-RAY DIFFRACTION
2015-07-23
2016-03-09
P06
0.6
IC50
nM
5CSW
3
2.66
experimental
10.1158/1535-7163.MCT-15-0617
Escherichia coli
Homo sapiens
Serine/threonine-protein kinase B-raf
1
P06
Dabrafenib
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F
HSA
519.574
8,817
5D5B
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5B
13
3.8
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CAU
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
HSA
298.386
8,820
5D5B
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5B
13
3.8
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
8,821
5D5B
X-RAY DIFFRACTION
2015-08-10
2016-01-13
null
null
null
null
5D5B
13
3.8
experimental
10.1107/S2059798315021683
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Beta-2 adrenergic receptor,Endolysin,Beta-2 adrenergic receptor
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,823
5HIE
X-RAY DIFFRACTION
2016-01-11
2016-04-06
P06
9.7
IC50
nM
5HIE
4
3
experimental
10.1016/j.ccell.2016.02.010
Trichoplusia ni
Homo sapiens
Serine/threonine-protein kinase B-raf
1
P06
Dabrafenib
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F
HSA
519.574
8,837
5ITZ
X-RAY DIFFRACTION
2016-03-17
2016-06-01
null
null
null
null
5ITZ
4
2.2
experimental
10.1016/j.devcel.2016.04.024
Escherichia coli BL21(DE3)
synthetic construct
Designed ankyrin repeat protein (DARPIN) D1
4
GTP
GUANOSINE-5'-TRIPHOSPHATE
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
HSA
523.181
8,841
6CBD
X-RAY DIFFRACTION
2018-02-02
2018-04-18
null
null
null
null
6CBD
9
2.203
experimental
10.1016/j.cell.2018.02.051
null
synthetic construct
Target RNA
3
TRP
TRYPTOPHAN
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
HSA
204.229
8,844
6UD7
X-RAY DIFFRACTION
2019-09-18
2019-12-18
null
null
null
null
6UD7
3
2.3
experimental
10.1038/s41589-019-0411-6
Spodoptera frugiperda
Homo sapiens
DDB1- and CUL4-associated factor 15
1
EF6
N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl
HSA
385.854
8,853
8C1L
X-RAY DIFFRACTION
2022-12-20
2024-01-10
null
null
null
null
8C1L
5
2
experimental
null
null
Homo sapiens
Nuclear receptor coactivator 2
2
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,861
3U9Q
X-RAY DIFFRACTION
2011-10-19
2011-11-09
null
null
null
null
3U9Q
1
1.522
experimental
10.1074/jbc.M111.294785
null
Homo sapiens
PGC-1a peptide
2
DKA
DECANOIC ACID
CCCCCCCCCC(=O)O
HSA
172.268
8,863
1ERR
X-RAY DIFFRACTION
1997-09-08
1998-09-16
RAL
1.9
IC50
nM
1ERR
2
2.6
experimental
10.1038/39645
Escherichia coli
Homo sapiens
ESTROGEN RECEPTOR
1
RAL
RALOXIFENE
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O
HSA
473.594
8,903
2QXS
X-RAY DIFFRACTION
2007-08-12
2008-09-02
RAL
170
IC50
nM
2QXS
2
1.7
experimental
10.1038/nchembio.451
Escherichia coli
Homo sapiens
Estrogen receptor
1
RAL
RALOXIFENE
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O
HSA
473.594
8,944
2RH1
X-RAY DIFFRACTION
2007-10-05
2007-10-30
null
null
null
null
2RH1
15
2.4
experimental
10.1126/science.1150577
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
beta-2-adrenergic receptor/T4-lysozyme chimera
1
CAU
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
HSA
298.386
8,947
2RH1
X-RAY DIFFRACTION
2007-10-05
2007-10-30
null
null
null
null
2RH1
15
2.4
experimental
10.1126/science.1150577
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
beta-2-adrenergic receptor/T4-lysozyme chimera
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
8,948
2RH1
X-RAY DIFFRACTION
2007-10-05
2007-10-30
null
null
null
null
2RH1
15
2.4
experimental
10.1126/science.1150577
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
beta-2-adrenergic receptor/T4-lysozyme chimera
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,949
2RH1
X-RAY DIFFRACTION
2007-10-05
2007-10-30
null
null
null
null
2RH1
15
2.4
experimental
10.1126/science.1150577
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
beta-2-adrenergic receptor/T4-lysozyme chimera
1
12P
DODECAETHYLENE GLYCOL
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
HSA
546.651
8,950
3EML
X-RAY DIFFRACTION
2008-09-24
2008-10-14
null
null
null
null
3EML
13
2.6
experimental
10.1126/science.1164772
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Human Adenosine A2A receptor/T4 lysozyme chimera
1
ZMA
4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
HSA
337.343
8,951
3EML
X-RAY DIFFRACTION
2008-09-24
2008-10-14
null
null
null
null
3EML
13
2.6
experimental
10.1126/science.1164772
Spodoptera frugiperda
Homo sapiens, Tequatrovirus T4
Human Adenosine A2A receptor/T4 lysozyme chimera
1
STE
STEARIC ACID
CCCCCCCCCCCCCCCCCC(=O)O
HSA
284.484
8,957
6Q0W
X-RAY DIFFRACTION
2019-08-02
2019-11-13
null
null
null
null
6Q0W
2
2.9
experimental
10.1038/s41589-019-0378-3
Trichoplusia ni
Homo sapiens
DET1- and DDB1-associated protein 1
5
EF6
N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl
HSA
385.854
8,964
8J8L
ELECTRON MICROSCOPY
2023-05-02
2024-07-17
DAH
100,000
IC50
nM
8J8L
1
3.56
experimental
10.1016/j.jbc.2025.110569
Homo sapiens
Homo sapiens
Large neutral amino acids transporter small subunit 1
2
DAH
3,4-DIHYDROXYPHENYLALANINE
c1cc(c(cc1CC(C(=O)O)N)O)O
HSA
197.19
8,966
8T3O
ELECTRON MICROSCOPY
2023-06-07
2024-01-17
YN9
16.98
EC50
nM
8T3O
3
3.06
experimental
10.1126/sciadv.adj2384
Spodoptera frugiperda
Mus musculus
scFv16
5
YN9
3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid
Cc1ccc(cc1)c2ccc(cc2COc3ccc(cc3)CCC(=O)O)F
HSA
364.416
8,973
9FAS
ELECTRON MICROSCOPY
2024-05-10
2025-05-28
null
null
null
null
9FAS
44
2.5
experimental
null
Homo sapiens
Homo sapiens
Isoform 1 of Gamma-aminobutyric acid receptor subunit gamma-2
3
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
8,993
13GS
X-RAY DIFFRACTION
1997-11-20
1999-01-13
null
null
null
null
13GS
7
1.9
experimental
10.1006/jmbi.1999.3029
Escherichia coli
Homo sapiens
GLUTATHIONE S-TRANSFERASE
1
GSH
Glutathione
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
HSA
307.328
8,994
13GS
X-RAY DIFFRACTION
1997-11-20
1999-01-13
null
null
null
null
13GS
7
1.9
experimental
10.1006/jmbi.1999.3029
Escherichia coli
Homo sapiens
GLUTATHIONE S-TRANSFERASE
1
SAS
2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Nc3ccc(c(c3)C(=O)O)O
HSA
398.4
8,995
13GS
X-RAY DIFFRACTION
1997-11-20
1999-01-13
null
null
null
null
13GS
7
1.9
experimental
10.1006/jmbi.1999.3029
Escherichia coli
Homo sapiens
GLUTATHIONE S-TRANSFERASE
1
MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID
C1COCC[NH+]1CCS(=O)(=O)[O-]
HSA
195.24
8,996
1K4W
X-RAY DIFFRACTION
2001-10-09
2002-04-09
null
null
null
null
1K4W
1
1.9
experimental
10.1093/emboj/20.21.5822
null
null
steroid receptor coactivator-1
2
STE
STEARIC ACID
CCCCCCCCCCCCCCCCCC(=O)O
HSA
284.484
9,002
3DBX
X-RAY DIFFRACTION
2008-06-02
2008-11-25
null
null
null
null
3DBX
4
2
experimental
10.1073/pnas.0809814105
Spodoptera frugiperda
Homo sapiens
Beta-2-microglobulin
2
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
9,017
7NDO
X-RAY DIFFRACTION
2021-02-02
2021-08-25
null
null
null
null
7NDO
13
1.6
experimental
10.1038/s41598-021-89785-1
Escherichia coli BL21(DE3)
Homo sapiens
Estrogen receptor
1
RAL
RALOXIFENE
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O
HSA
473.594
9,023
8T3S
ELECTRON MICROSCOPY
2023-06-07
2024-01-24
null
null
null
null
8T3S
4
3.07
experimental
10.1126/sciadv.adj2384
Spodoptera frugiperda
Homo sapiens
Free fatty acid receptor 2
5
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,028
8THH
ELECTRON MICROSCOPY
2023-07-16
2023-11-22
IYJ
17,000
IC50
nM
8THH
21
2.7
experimental
10.1073/pnas.2309773120
Homo sapiens
Homo sapiens
Sodium channel subunit beta-2
3
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
9,034
9CM3
ELECTRON MICROSCOPY
2024-07-12
2025-06-25
null
null
null
null
9CM3
4
3.06
experimental
10.1038/s41586-025-09186-6
Spodoptera frugiperda
Homo sapiens
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
5
9UJ
(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid
Cc1c(c(on1)C)c2ccc(cc2)C(=O)N3C(CSC3c4ccccc4Cl)C(=O)O
HSA
442.924
9,039
9L84
ELECTRON MICROSCOPY
2024-12-27
2025-12-31
null
null
null
null
9L84
2
3.22
experimental
null
Trichoplusia ni
Bos taurus
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short
1
DR7
(3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
HSA
704.869
9,044
9MD1
ELECTRON MICROSCOPY
2024-12-05
2025-08-13
null
null
null
null
9MD1
12
3.03
experimental
10.1126/sciadv.adu9851
Spodoptera frugiperda
Homo sapiens
Guanine nucleotide-binding protein G(z) subunit alpha
1
YLX
Buspirone
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
HSA
385.512
9,048
9OCL
ELECTRON MICROSCOPY
2025-04-24
2025-12-17
null
null
null
null
9OCL
1
3.65
experimental
10.1038/s41467-025-68226-x
null
Homo sapiens
10D2 Light Chain
6
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,054
9ZD2
ELECTRON MICROSCOPY
2025-11-24
2026-02-25
null
null
null
null
9ZD2
8
3.1
experimental
null
null
Homo sapiens
Stomatin
2
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,056
1N4H
X-RAY DIFFRACTION
2002-10-31
2003-09-23
null
null
null
null
1N4H
1
2.1
experimental
10.1038/nsb979
null
null
Steroid Receptor Coactivator-1
2
REA
RETINOIC ACID
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
HSA
300.442
9,059
3UVV
X-RAY DIFFRACTION
2011-11-30
2012-04-18
9CR
14
Kd
nM
3UVV
2
2.95
experimental
10.1073/pnas.1119852109
Escherichia coli BL21(DE3)
Homo sapiens
Retinoic acid receptor RXR-alpha
2
T3
3,5,3'TRIIODOTHYRONINE
c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)O)N)I)I)O
HSA
650.976
9,161
7KBS
X-RAY DIFFRACTION
2020-10-02
2020-11-18
null
null
null
null
7KBS
2
1.834
experimental
10.7554/eLife.72512
Escherichia coli
Homo sapiens
Estrogen receptor
1
RAL
RALOXIFENE
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O
HSA
473.594
9,162
7UJC
X-RAY DIFFRACTION
2022-03-30
2022-06-15
null
null
null
null
7UJC
2
1.78
experimental
10.7554/eLife.72512
Escherichia coli
Homo sapiens
Estrogen receptor
1
RAL
RALOXIFENE
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O
HSA
473.594
9,163
7VOE
X-RAY DIFFRACTION
2021-10-13
2021-12-22
null
null
null
null
7VOE
10
2.9
experimental
10.1038/s41593-021-00971-w
Spodoptera frugiperda
Homo sapiens
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
9,164
7VOE
X-RAY DIFFRACTION
2021-10-13
2021-12-22
null
null
null
null
7VOE
10
2.9
experimental
10.1038/s41593-021-00971-w
Spodoptera frugiperda
Homo sapiens
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
1PE
PENTAETHYLENE GLYCOL
C(COCCOCCOCCOCCO)O
HSA
238.28
9,165
7VOE
X-RAY DIFFRACTION
2021-10-13
2021-12-22
null
null
null
null
7VOE
10
2.9
experimental
10.1038/s41593-021-00971-w
Spodoptera frugiperda
Homo sapiens
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
OLC
(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
HSA
356.547
9,166
7VOE
X-RAY DIFFRACTION
2021-10-13
2021-12-22
null
null
null
null
7VOE
10
2.9
experimental
10.1038/s41593-021-00971-w
Spodoptera frugiperda
Homo sapiens
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
9SC
7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4
HSA
448.394
9,171
8E8Y
ELECTRON MICROSCOPY
2022-08-26
2023-06-21
null
null
null
null
8E8Y
1
2.5
experimental
10.1038/s41467-023-41052-9
Homo sapiens
Homo sapiens
9H2 Fab light chain
6
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,177
8KDO
ELECTRON MICROSCOPY
2023-08-09
2025-02-12
null
null
null
null
8KDO
1
4.12
experimental
10.1038/s41467-025-56903-w
Homo sapiens
Homo sapiens
Large neutral amino acids transporter small subunit 1
2
VUC
melphalan
c1cc(ccc1CC(C(=O)O)N)N(CCCl)CCCl
HSA
305.205
9,179
9CLW
ELECTRON MICROSCOPY
2024-07-12
2025-06-25
null
null
null
null
9CLW
4
3.19
experimental
10.1038/s41586-025-09186-6
Spodoptera frugiperda
Homo sapiens
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2
5
9UJ
(2R,4R)-2-(2-chlorophenyl)-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylic acid
Cc1c(c(on1)C)c2ccc(cc2)C(=O)N3C(CSC3c4ccccc4Cl)C(=O)O
HSA
442.924
9,189
9N9G
ELECTRON MICROSCOPY
2025-02-10
2026-02-04
null
null
null
null
9N9G
10
3
experimental
null
Escherichia coli BL21(DE3)
Homo sapiens
Kinetochore protein Nuf2
4
TA1
TAXOL
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
HSA
853.918
9,193
9OL4
ELECTRON MICROSCOPY
2025-05-12
2026-01-28
null
null
null
null
9OL4
24
3.37
experimental
10.1038/s41467-025-66522-0
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1B
2
CFF
CAFFEINE
Cn1cnc2c1C(=O)N(C(=O)N2C)C
HSA
194.194
9,197
3NMS
X-RAY DIFFRACTION
2010-06-22
2010-08-04
null
null
null
null
3NMS
1
4.1
experimental
10.1016/j.jmb.2010.07.029
null
Homo sapiens
Complement C3
4
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
9,201
8I2G
ELECTRON MICROSCOPY
2023-01-14
2023-03-29
null
null
null
null
8I2G
23
2.8
experimental
10.1038/s41467-023-36170-3
Spodoptera frugiperda
Cricetulus griseus, Homo sapiens
chimera of Guanine nucleotide-binding protein G(s) subunit alpha and Guanine nucleotide-binding protein G(s) subunit alpha isoforms XLas
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
9,208
1PZL
X-RAY DIFFRACTION
2003-07-11
2004-06-01
null
null
null
null
1PZL
1
2.1
experimental
10.1074/jbc.M400864200
null
null
steroid receptor coactivator-1
2
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
9,211
3IYP
ELECTRON MICROSCOPY
2010-04-07
2010-11-24
null
null
null
null
3IYP
1
7.2
experimental
10.1128/JVI.00837-10
null
Homo sapiens
Complement decay-accelerating factor
5
DAO
LAURIC ACID
CCCCCCCCCCCC(=O)O
HSA
200.322
9,216
4IQR
X-RAY DIFFRACTION
2013-01-13
2013-03-20
null
null
null
null
4IQR
12
2.9
experimental
10.1038/nature11966
null
Homo sapiens
Nuclear receptor coactivator 2
4
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
9,220
6A94
X-RAY DIFFRACTION
2018-07-11
2019-02-13
null
null
null
null
6A94
8
2.9
experimental
10.1038/s41594-018-0180-z
Spodoptera frugiperda
Homo sapiens, Escherichia coli
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
ZOT
2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl
HSA
331.868
9,221
6A94
X-RAY DIFFRACTION
2018-07-11
2019-02-13
null
null
null
null
6A94
8
2.9
experimental
10.1038/s41594-018-0180-z
Spodoptera frugiperda
Homo sapiens, Escherichia coli
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
9,222
6A94
X-RAY DIFFRACTION
2018-07-11
2019-02-13
null
null
null
null
6A94
8
2.9
experimental
10.1038/s41594-018-0180-z
Spodoptera frugiperda
Homo sapiens, Escherichia coli
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
1PE
PENTAETHYLENE GLYCOL
C(COCCOCCOCCOCCO)O
HSA
238.28
9,224
6A94
X-RAY DIFFRACTION
2018-07-11
2019-02-13
null
null
null
null
6A94
8
2.9
experimental
10.1038/s41594-018-0180-z
Spodoptera frugiperda
Homo sapiens, Escherichia coli
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,225
6A94
X-RAY DIFFRACTION
2018-07-11
2019-02-13
null
null
null
null
6A94
8
2.9
experimental
10.1038/s41594-018-0180-z
Spodoptera frugiperda
Homo sapiens, Escherichia coli
5-hydroxytryptamine receptor 2A,Soluble cytochrome b562
1
A6L
2,3-dihydroxypropyl (9Z)-octadec-9-enoate
CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
HSA
356.547
9,231
6HUP
ELECTRON MICROSCOPY
2018-10-09
2019-01-02
ABU
3,700
EC50
nM
6HUP
7
3.58
experimental
10.1038/s41586-018-0832-5
Escherichia coli
Lama glama
Megabody Mb38
4
PIO
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
HSA
746.57
9,301
6X3X
ELECTRON MICROSCOPY
2020-05-21
2020-09-09
ABU
28,000
EC50
nM
6X3X
8
2.92
experimental
10.1038/s41586-020-2654-5
Homo sapiens
Homo sapiens
Gamma-aminobutyric acid receptor subunit beta-2
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
9,385
8.00E+59
ELECTRON MICROSCOPY
2022-08-20
2022-12-07
BBI
1,900
IC50
nM
8.00E+59
6
3.1
experimental
10.1016/j.cell.2022.10.024
Homo sapiens
Homo sapiens
Voltage-dependent L-type calcium channel subunit beta-3
3
BBI
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
HSA
645.319
9,389
9DRX
ELECTRON MICROSCOPY
2024-09-26
2025-01-22
null
null
null
null
9DRX
5
2.95
experimental
10.1038/s41586-024-08454-1
Homo sapiens
Homo sapiens
Gamma-aminobutyric acid receptor subunit beta-2
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
9,394
9FAR
ELECTRON MICROSCOPY
2024-05-10
2025-07-02
null
null
null
null
9FAR
5
2.9
experimental
null
Homo sapiens
Homo sapiens
Isoform 2 of Gamma-aminobutyric acid receptor subunit gamma-2
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
9,399
9VJE
ELECTRON MICROSCOPY
2025-06-19
2025-11-12
null
null
null
null
9VJE
4
2.47
experimental
null
Spodoptera frugiperda
Mus musculus
ScFv16
4
YLX
Buspirone
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O
HSA
385.512
9,409
4DM8
X-RAY DIFFRACTION
2012-02-07
2012-03-07
REA
1,000
IC50
nM
4DM8
2
2.3
experimental
10.1073/pnas.1118192109
null
Homo sapiens
Nuclear receptor coactivator 1
2
REA
RETINOIC ACID
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
HSA
300.442
9,443
7KHG
X-RAY DIFFRACTION
2020-10-21
2021-07-07
null
null
null
null
7KHG
1
2.15
experimental
10.1001/jamaoncol.2021.2086
Escherichia coli
Homo sapiens
Mast/stem cell growth factor receptor Kit
1
P31
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(nc4)C(F)(F)F
HSA
417.822
9,444
7UHF
ELECTRON MICROSCOPY
2022-03-26
2022-05-11
null
null
null
null
7UHF
8
3.1
experimental
10.1038/s41422-022-00663-5
Homo sapiens
Homo sapiens
Voltage-dependent L-type calcium channel subunit beta-3
3
N90
1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
c1ccc(cc1)C=CCN2CCN(CC2)C(c3ccccc3)c4ccccc4
HSA
368.524
9,449
8SUY
ELECTRON MICROSCOPY
2023-05-14
2024-09-25
null
null
null
null
8SUY
1
3.38
experimental
10.7554/eLife.91432
Trichoplusia ni
Homo sapiens
Nuclear cap-binding protein subunit 1
1
M7G
7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
HSA
458.237
9,451
9VJF
ELECTRON MICROSCOPY
2025-06-19
2025-11-12
null
null
null
null
9VJF
4
2.7
experimental
null
Spodoptera frugiperda
Homo sapiens
Soluble cytochrome b562,5-hydroxytryptamine receptor 1A
5
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
9,456
3C7Q
X-RAY DIFFRACTION
2008-02-08
2008-12-23
XIN
4.7
IC50
nM
3C7Q
6
2.1
experimental
10.1158/0008-5472.CAN-07-6307
Spodoptera frugiperda
Homo sapiens
Vascular endothelial growth factor receptor 2
1
XIN
methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)NC(=C3c4ccc(cc4NC3=O)C(=O)OC)c5ccccc5
HSA
539.636
9,465
3GWX
X-RAY DIFFRACTION
1999-04-26
2000-04-26
EPA
4,000
IC50
nM
3GWX
2
2.4
experimental
10.1016/S1097-2765(00)80467-0
Escherichia coli
Homo sapiens
PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA))
1
EPA
5,8,11,14,17-EICOSAPENTAENOIC ACID
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
302.458
9,471
4ASE
X-RAY DIFFRACTION
2012-04-30
2012-09-26
null
null
null
null
4ASE
1
1.83
experimental
10.1073/PNAS.1207759109
Spodoptera frugiperda
Homo sapiens
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
1
AV9
TIVOZANIB
CC1=CC(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)NO1
HSA
454.87
9,472
7D76
ELECTRON MICROSCOPY
2020-10-03
2021-02-03
null
null
null
null
7D76
7
3.1
experimental
10.1038/s41586-020-03083-w
Spodoptera frugiperda
Homo sapiens
Adhesion G protein-coupled receptor G3; GPR97
4
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,476
8HAF
ELECTRON MICROSCOPY
2022-10-26
2022-12-21
null
null
null
null
8HAF
17
3.25
experimental
10.1038/s41401-022-01032-z
Trichoplusia ni
Homo sapiens
Parathyroid hormone/parathyroid hormone-related peptide receptor
6
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,482
9EQG
ELECTRON MICROSCOPY
2024-03-21
2024-09-18
null
null
null
null
9EQG
41
2.4
experimental
10.1038/s41586-024-07929-5
Homo sapiens
Homo sapiens
Gamma-aminobutyric acid receptor subunit gamma-2
3
PGW
(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
HSA
749.02
9,493
9FAN
ELECTRON MICROSCOPY
2024-05-10
2025-07-02
null
null
null
null
9FAN
5
2.9
experimental
null
Homo sapiens
Homo sapiens
LHFPL tetraspan subfamily member 4 protein
3
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
9,498
1G50
X-RAY DIFFRACTION
2000-10-30
2002-02-06
null
null
null
null
1G50
3
2.9
experimental
10.1006/prep.2001.1409
Escherichia coli BL21(DE3)
Homo sapiens
ESTROGEN RECEPTOR
1
EST
ESTRADIOL
CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
HSA
272.388
9,499
1GS4
X-RAY DIFFRACTION
2001-12-27
2003-01-16
null
null
null
null
1GS4
2
1.95
experimental
10.1021/JM011072J
Escherichia coli BL21(DE3)
Homo sapiens
ANDROGEN RECEPTOR
1
ZK5
9ALPHA-FLUOROCORTISOL
CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F
HSA
380.456
9,501
1QKT
X-RAY DIFFRACTION
1999-08-05
2000-08-18
null
null
null
null
1QKT
1
2.2
experimental
10.1074/JBC.M009870200
Escherichia coli BL21
Homo sapiens
ESTRADIOL RECEPTOR
1
EST
ESTRADIOL
CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
HSA
272.388