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
2,559
6JWE
SOLUTION NMR
2019-04-20
2020-02-26
null
null
null
null
6JWE
1
null
experimental
10.1039/d0cc00221f
null
Homo sapiens
DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3')
1
LOC
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
HSA
399.443
2,568
1YW9
X-RAY DIFFRACTION
2005-02-17
2006-02-21
A84
19
IC50
nM
1YW9
3
1.64
experimental
10.1021/jm0601001
Escherichia coli
Homo sapiens
Methionine aminopeptidase 2
1
A84
2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
CN(C)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F
HSA
432.517
2,582
6Q2R
ELECTRON MICROSCOPY
2019-08-08
2019-10-02
null
null
null
null
6Q2R
40
4.3
experimental
10.7554/eLife.47650
Escherichia coli
Homo sapiens
Neurturin
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,585
9INF
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INF
18
3.36
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,586
9INF
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INF
18
3.36
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
ACD
ARACHIDONIC ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
304.474
2,587
9INF
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INF
18
3.36
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
3PE
1,2-Distearoyl-sn-glycerophosphoethanolamine
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
HSA
748.08
2,588
9INF
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INF
18
3.36
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,589
6KN4
SOLUTION NMR
2019-08-03
2020-03-18
null
null
null
null
6KN4
2
null
experimental
10.1080/07391102.2020.1730969
null
Homo sapiens
DNA (5'-D(*TP*TP*AP*GP*GP*GP*T)-3')
1
DM2
DOXORUBICIN
CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O
HSA
543.525
2,592
7ZNJ
ELECTRON MICROSCOPY
2022-04-21
2023-04-12
null
null
null
null
7ZNJ
12
2.4
experimental
10.1038/s41586-023-05904-0
Escherichia coli
Homo sapiens
Eukaryotic initiation factor 4A-III, N-terminally processed
1
ANP
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
HSA
506.198
2,597
5W78
X-RAY DIFFRACTION
2017-06-19
2018-01-03
null
null
null
null
5W78
6
2.271
experimental
10.1073/pnas.1719834115
Spodoptera frugiperda
Homo sapiens
Acyloxyacyl hydrolase
2
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,601
7NWU
X-RAY DIFFRACTION
2021-03-17
2022-07-20
null
null
null
null
7NWU
3
2.6
experimental
10.1093/nar/gkac421
Escherichia coli BL21(DE3)
Homo sapiens
Regulator of nonsense transcripts 2
2
PG4
TETRAETHYLENE GLYCOL
C(COCCOCCOCCO)O
HSA
194.227
2,608
6HIP
X-RAY DIFFRACTION
2018-08-30
2019-03-27
null
null
null
null
6HIP
2
1.2
experimental
10.1093/nar/gkz185
Escherichia coli
Homo sapiens
Splicing factor 45
1
TRP
TRYPTOPHAN
c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
HSA
204.229
2,611
9INH
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INH
34
3.68
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,612
9INH
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INH
34
3.68
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
3PE
1,2-Distearoyl-sn-glycerophosphoethanolamine
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
HSA
748.08
2,613
9INH
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INH
34
3.68
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,614
9INH
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INH
34
3.68
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
ACD
ARACHIDONIC ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
304.474
2,616
9INH
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INH
34
3.68
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
IHP
INOSITOL HEXAKISPHOSPHATE
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
HSA
660.03
2,617
9IUC
ELECTRON MICROSCOPY
2024-07-20
2025-04-02
null
null
null
null
9IUC
26
3.8
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,618
9IUC
ELECTRON MICROSCOPY
2024-07-20
2025-04-02
null
null
null
null
9IUC
26
3.8
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
IHP
INOSITOL HEXAKISPHOSPHATE
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
HSA
660.03
2,619
9IUC
ELECTRON MICROSCOPY
2024-07-20
2025-04-02
null
null
null
null
9IUC
26
3.8
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
3PE
1,2-Distearoyl-sn-glycerophosphoethanolamine
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
HSA
748.08
2,620
9IUC
ELECTRON MICROSCOPY
2024-07-20
2025-04-02
null
null
null
null
9IUC
26
3.8
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,621
9IUC
ELECTRON MICROSCOPY
2024-07-20
2025-04-02
null
null
null
null
9IUC
26
3.8
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
ACD
ARACHIDONIC ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
304.474
2,623
9VA0
SOLUTION NMR
2025-06-02
2026-02-11
null
null
null
null
9VA0
3
null
experimental
null
null
Homo sapiens
DNA (5'-D(*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*CP*TP*GP*GP*GP*AP*GP*GP*GP*CP*C)-3')
1
CP0
(4S)-4,11-DIETHYL-4-HYDROXY-3,14-DIOXO-3,4,12,14-TETRAHYDRO-1H-PYRANO[3',4':6,7]INDOLIZINO[1,2-B]QUINOLIN-9-YL 1,4'-BIPIPERIDINE-1'-CARBOXYLATE
CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7
HSA
586.689
2,625
9INE
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INE
26
3.32
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,626
9INE
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INE
26
3.32
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
3PE
1,2-Distearoyl-sn-glycerophosphoethanolamine
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
HSA
748.08
2,627
9INE
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INE
26
3.32
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
LPE
1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)O
HSA
510.717
2,628
9INE
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INE
26
3.32
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,629
9INE
ELECTRON MICROSCOPY
2024-07-06
2025-04-02
null
null
null
null
9INE
26
3.32
experimental
10.1038/s41467-025-58200-y
Homo sapiens
Homo sapiens
Solute carrier family 53 member 1
1
ACD
ARACHIDONIC ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
304.474
2,631
7RE8
X-RAY DIFFRACTION
2021-07-12
2022-07-27
null
null
null
null
7RE8
18
2.82
experimental
10.1038/s41598-022-15946-5
null
Homo sapiens
PHE-MET-ASN-LYS-PHE-ILE-TYR-GLU-ILE
3
PGE
TRIETHYLENE GLYCOL
C(COCCOCCO)O
HSA
150.174
2,637
3MZW
X-RAY DIFFRACTION
2010-05-13
2010-07-28
null
null
null
null
3MZW
2
2.9
experimental
10.1073/pnas.1005025107
null
Staphylococcus aureus
Immunoglobulin G-binding protein A
2
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,639
5CR1
X-RAY DIFFRACTION
2015-07-22
2015-10-21
null
null
null
null
5CR1
2
1.545
experimental
10.1074/jbc.M115.690172
Escherichia coli BL21(DE3)
Homo sapiens
Transthyretin
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,640
5CR1
X-RAY DIFFRACTION
2015-07-22
2015-10-21
null
null
null
null
5CR1
2
1.545
experimental
10.1074/jbc.M115.690172
Escherichia coli BL21(DE3)
Homo sapiens
Transthyretin
1
STL
RESVERATROL
c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
HSA
228.247
2,641
1NU7
X-RAY DIFFRACTION
2003-01-31
2003-10-07
null
null
null
null
1NU7
12
2.2
experimental
10.1038/nature01962
Escherichia coli BL21
Staphylococcus aureus
Staphylocoagulase
3
0ZJ
N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NC(CCCNC(=[NH2+])N)C(CCl)O)NC(=O)CS
HSA
528.099
2,644
2B9E
X-RAY DIFFRACTION
2005-10-11
2005-10-18
null
null
null
null
2B9E
1
1.65
experimental
null
Escherichia coli
Homo sapiens
NOL1/NOP2/Sun domain family, member 5 isoform 2
1
SAM
S-ADENOSYLMETHIONINE
C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
HSA
398.445
2,650
6IRW
X-RAY DIFFRACTION
2018-11-14
2018-12-05
null
null
null
null
6IRW
2
2.9
experimental
10.1126/science.aav0080
Escherichia coli BL21(DE3)
Homo sapiens
Phosphorylated CTD-interacting factor 1
1
SAH
S-ADENOSYL-L-HOMOCYSTEINE
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
HSA
384.418
2,659
5.00E+84
X-RAY DIFFRACTION
2015-10-13
2016-01-27
null
null
null
null
5.00E+84
42
2.99
experimental
10.1016/j.str.2015.10.012
Escherichia coli BL21
Homo sapiens
78 kDa glucose-regulated protein
1
ATP
ADENOSINE-5'-TRIPHOSPHATE
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
HSA
507.182
2,663
7RE7
X-RAY DIFFRACTION
2021-07-12
2022-07-27
null
null
null
null
7RE7
19
2.547
experimental
10.1038/s41598-022-15946-5
null
Homo sapiens
PHE-MET-ASN-LYS-PHE-ILE-TYR-GLU-ILE
5
EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
C1CN(CCN1CCO)CCS(=O)(=O)O
HSA
238.309
2,670
2AF9
X-RAY DIFFRACTION
2005-07-25
2005-10-25
null
null
null
null
2AF9
6
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
OLA
OLEIC ACID
CCCCCCCCC=CCCCCCCCC(=O)O
HSA
282.468
2,671
2AF9
X-RAY DIFFRACTION
2005-07-25
2005-10-25
null
null
null
null
2AF9
6
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,672
2AF9
X-RAY DIFFRACTION
2005-07-25
2005-10-25
null
null
null
null
2AF9
6
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
DAO
LAURIC ACID
CCCCCCCCCCCC(=O)O
HSA
200.322
2,674
3LPY
X-RAY DIFFRACTION
2010-02-07
2010-07-07
null
null
null
null
3LPY
6
2
experimental
10.1016/j.cell.2010.05.016
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase E
1
EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
C1CN(CCN1CCO)CCS(=O)(=O)O
HSA
238.309
2,676
1ICT
X-RAY DIFFRACTION
2001-04-02
2002-04-03
T44
2,188
IC50
nM
1ICT
2
3
experimental
10.1107/S0907444901006047
null
Homo sapiens
TRANSTHYRETIN
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,681
1PBK
X-RAY DIFFRACTION
1995-09-01
1996-10-14
null
null
null
null
1PBK
1
2.5
experimental
null
Escherichia coli
Homo sapiens
FKBP25
1
RAP
RAPAMYCIN IMMUNOSUPPRESSANT DRUG
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC
HSA
914.187
2,684
5OO6
X-RAY DIFFRACTION
2017-08-06
2017-11-15
null
null
null
null
5OO6
8
2.8
experimental
10.1038/s41467-017-01402-w
Escherichia coli
Homo sapiens
Serrate RNA effector molecule homolog
3
MGT
7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
HSA
539.224
2,689
6UUH
X-RAY DIFFRACTION
2019-10-30
2020-09-23
null
null
null
null
6UUH
1
2.7
experimental
10.1126/sciadv.abb1328
Homo sapiens
Streptococcus sp. 'group G
Immunoglobulin G-binding protein G
3
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,692
4TJZ
X-RAY DIFFRACTION
2014-05-25
2015-01-28
null
null
null
null
4TJZ
3
0.87
experimental
10.1002/anie.201409830
Escherichia coli BL21(DE3)
Homo sapiens
Fatty acid-binding protein, heart
1
DKA
DECANOIC ACID
CCCCCCCCCC(=O)O
HSA
172.268
2,693
4TJZ
X-RAY DIFFRACTION
2014-05-25
2015-01-28
null
null
null
null
4TJZ
3
0.87
experimental
10.1002/anie.201409830
Escherichia coli BL21(DE3)
Homo sapiens
Fatty acid-binding protein, heart
1
P6G
HEXAETHYLENE GLYCOL
C(COCCOCCOCCOCCOCCO)O
HSA
282.333
2,697
7FG5
X-RAY DIFFRACTION
2021-07-26
2022-07-27
null
null
null
null
7FG5
1
1.3
experimental
null
Escherichia coli
Homo sapiens
Fatty acid-binding protein, heart
1
DKA
DECANOIC ACID
CCCCCCCCCC(=O)O
HSA
172.268
2,698
5D75
X-RAY DIFFRACTION
2015-08-13
2016-04-06
null
null
null
null
5D75
3
1.83
experimental
10.1002/pro.2875
Escherichia coli BL21
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP3
1
FK5
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
HSA
804.031
2,699
5D75
X-RAY DIFFRACTION
2015-08-13
2016-04-06
null
null
null
null
5D75
3
1.83
experimental
10.1002/pro.2875
Escherichia coli BL21
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP3
1
JEF
O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCCOC)N
HSA
597.831
2,705
4NNR
X-RAY DIFFRACTION
2013-11-18
2014-02-05
null
null
null
null
4NNR
2
1.98
experimental
10.1021/ja00086a055
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP2
1
FK5
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC
HSA
804.031
2,707
7V75
ELECTRON MICROSCOPY
2021-08-21
2022-08-31
null
null
null
null
7V75
11
3.57
experimental
10.1038/s41467-022-34017-x
Homo sapiens
Homo sapiens
prestin
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,708
7V75
ELECTRON MICROSCOPY
2021-08-21
2022-08-31
null
null
null
null
7V75
11
3.57
experimental
10.1038/s41467-022-34017-x
Homo sapiens
Homo sapiens
prestin
1
LBN
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
HSA
760.091
2,709
8XGF
ELECTRON MICROSCOPY
2023-12-15
2024-11-06
null
null
null
null
8XGF
96
2.95
experimental
10.1038/s41467-024-53587-6
Spodoptera frugiperda
Homo sapiens
Gap junction delta-2 protein
1
MC3
1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
HSA
677.945
2,710
8XGF
ELECTRON MICROSCOPY
2023-12-15
2024-11-06
null
null
null
null
8XGF
96
2.95
experimental
10.1038/s41467-024-53587-6
Spodoptera frugiperda
Homo sapiens
Gap junction delta-2 protein
1
ACD
ARACHIDONIC ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O
HSA
304.474
2,711
8Z7T
ELECTRON MICROSCOPY
2024-04-21
2025-01-08
null
null
null
null
8Z7T
1
3.39
experimental
10.1038/s41467-024-55359-8
Spodoptera frugiperda
Homo sapiens
Thiamine transporter 2
1
UEG
4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
Cc1c(c(c(cn1)CO)CO)O
HSA
169.18
2,717
5ACL
X-RAY DIFFRACTION
2015-08-17
2015-12-02
null
null
null
null
5ACL
2
1.49
experimental
10.7554/eLife.10935
Escherichia coli BL21(DE3)
Homo sapiens
MCG
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
2,719
7FY1
X-RAY DIFFRACTION
2023-04-27
2023-06-14
null
null
null
null
7FY1
1
2.01
experimental
10.1107/S2059798325006096
Escherichia coli BL21(DE3)
Homo sapiens
Fatty acid-binding protein 9
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,721
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
LP3
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
HSA
524.7
2,722
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
DAO
LAURIC ACID
CCCCCCCCCCCC(=O)O
HSA
200.322
2,723
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
MYR
MYRISTIC ACID
CCCCCCCCCCCCCC(=O)O
HSA
228.376
2,724
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
OLA
OLEIC ACID
CCCCCCCCC=CCCCCCCCC(=O)O
HSA
282.468
2,725
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
CH5
2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
C[N+](C)(C)CCOP(=O)(O)OCC(CO)O
HSA
258.231
2,727
2AG2
X-RAY DIFFRACTION
2005-07-26
2005-10-25
null
null
null
null
2AG2
26
2
experimental
10.1021/bi050668w
Escherichia coli BL21(DE3)
Homo sapiens
Ganglioside GM2 activator
1
EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
C1CN(CCN1CCO)CCS(=O)(=O)O
HSA
238.309
2,729
1SJF
X-RAY DIFFRACTION
2004-03-03
2004-05-18
null
null
null
null
1SJF
2
2.75
experimental
10.1038/nature02522
Escherichia coli
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
NCO
COBALT HEXAMMINE(III)
[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]
HSA
161.119
2,735
2EVD
X-RAY DIFFRACTION
2005-10-31
2006-11-14
null
null
null
null
2EVD
4
2
experimental
10.1371/journal.pbio.0040362
Escherichia coli
Homo sapiens
Glycolipid transfer protein
1
SPH
SPHINGOSINE
CCCCCCCCCCCCCC=CC(C(CO)N)O
HSA
299.499
2,736
2EVD
X-RAY DIFFRACTION
2005-10-31
2006-11-14
null
null
null
null
2EVD
4
2
experimental
10.1371/journal.pbio.0040362
Escherichia coli
Homo sapiens
Glycolipid transfer protein
1
DAO
LAURIC ACID
CCCCCCCCCCCC(=O)O
HSA
200.322
2,739
4D6B
X-RAY DIFFRACTION
2014-11-10
2015-05-20
null
null
null
null
4D6B
7
2.116
experimental
10.1371/JOURNAL.PONE.0128954
Escherichia coli
Homo sapiens
MYELIN P2 PROTEIN
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,741
5ALB
X-RAY DIFFRACTION
2015-03-07
2015-04-01
null
null
null
null
5ALB
1
2.16
experimental
10.1182/BLOOD-2015-01-622928
Cricetulus griseus
Homo sapiens
MEDI2452 LIGHT CHAIN
2
TIQ
Ticagrelor
CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)O)OCCO)NC4CC4c5ccc(c(c5)F)F
HSA
522.578
2,744
6EW2
X-RAY DIFFRACTION
2017-11-03
2018-07-11
null
null
null
null
6EW2
2
1.588
experimental
10.1186/s12900-018-0087-2
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,745
7NRW
X-RAY DIFFRACTION
2021-03-04
2021-09-01
null
null
null
null
7NRW
4
2
experimental
10.1111/febs.16079
Escherichia coli BL21(DE3)
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,748
8Z7X
ELECTRON MICROSCOPY
2024-04-21
2025-01-08
null
null
null
null
8Z7X
1
3.36
experimental
10.1038/s41467-024-55359-8
Homo sapiens
Homo sapiens
Thiamine transporter 2
1
VIB
3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
HSA
265.362
2,751
2OIH
X-RAY DIFFRACTION
2007-01-11
2007-03-27
null
null
null
null
2OIH
15
2.4
experimental
10.1016/j.str.2007.01.017
Escherichia coli BL21(DE3)
Homo sapiens
U1 small nuclear ribonucleoprotein A
2
TL
THALLIUM (I) ION
[Tl+]
HSA
204.383
2,764
6EW4
X-RAY DIFFRACTION
2017-11-03
2018-07-11
null
null
null
null
6EW4
1
1.271
experimental
10.1186/s12900-018-0087-2
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,765
6XUW
X-RAY DIFFRACTION
2020-01-21
2020-04-08
null
null
null
null
6XUW
2
2.31
experimental
10.1074/jbc.RA120.013087
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,767
6XW9
X-RAY DIFFRACTION
2020-01-23
2020-04-08
null
null
null
null
6XW9
2
2.9
experimental
10.1074/jbc.RA120.013087
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,770
7NSR
X-RAY DIFFRACTION
2021-03-08
2021-09-01
null
null
null
null
7NSR
4
1.5
experimental
10.1111/febs.16079
Escherichia coli BL21(DE3)
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,772
7NTP
X-RAY DIFFRACTION
2021-03-10
2021-09-01
null
null
null
null
7NTP
2
2.1
experimental
10.1111/febs.16079
Escherichia coli BL21(DE3)
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,773
8Z7S
ELECTRON MICROSCOPY
2024-04-21
2025-01-08
null
null
null
null
8Z7S
1
3.05
experimental
10.1038/s41467-024-55359-8
Spodoptera frugiperda
Homo sapiens
Thiamine transporter 2
1
VIB
3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
HSA
265.362
2,774
8Z80
ELECTRON MICROSCOPY
2024-04-21
2025-01-08
null
null
null
null
8Z80
1
3.7
experimental
10.1038/s41467-024-55359-8
Homo sapiens
Homo sapiens
Thiamine transporter 1
1
UEG
4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
Cc1c(c(c(cn1)CO)CO)O
HSA
169.18
2,780
5ALC
X-RAY DIFFRACTION
2015-03-07
2015-04-01
null
null
null
null
5ALC
1
1.7
experimental
10.1182/BLOOD-2015-01-622928
Cricetulus griseus
Homo sapiens
ANTI-TICAGRELOR FAB 72, LIGHT CHAIN
2
TIQ
Ticagrelor
CCCSc1nc(c2c(n1)n(nn2)C3CC(C(C3O)O)OCCO)NC4CC4c5ccc(c(c5)F)F
HSA
522.578
2,782
6S2M
X-RAY DIFFRACTION
2019-06-21
2019-08-28
null
null
null
null
6S2M
2
0.72
experimental
10.3390/molecules24173044
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,783
6S2M
X-RAY DIFFRACTION
2019-06-21
2019-08-28
null
null
null
null
6S2M
2
0.72
experimental
10.3390/molecules24173044
Escherichia coli
Homo sapiens
Myelin P2 protein
1
VCA
VACCENIC ACID
CCCCCCC=CCCCCCCCCCC(=O)O
HSA
282.468
2,784
8TFQ
X-RAY DIFFRACTION
2023-07-11
2023-08-16
null
null
null
null
8TFQ
2
1.8
experimental
10.1021/acschemneuro.3c00455
Homo sapiens
Homo sapiens
Heavy chain from Fab of C10_S66K antibody
2
7V7
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
HSA
336.479
2,787
9DY4
X-RAY DIFFRACTION
2024-10-13
2025-09-24
null
null
null
null
9DY4
4
2.39
experimental
10.1126/sciadv.adx7687
Escherichia coli
Homo sapiens
2-aminoethanethiol dioxygenase
1
HLZ
1-hydrazinophthalazine
c1ccc2c(c1)cnnc2NN
HSA
160.18
2,789
8JEW
ELECTRON MICROSCOPY
2023-05-16
2024-05-22
null
null
null
null
8JEW
10
2.49
experimental
10.1038/s41467-024-49899-2
Homo sapiens
Homo sapiens
Solute carrier family 23 member 1
1
ASC
ASCORBIC ACID
C(C(C1C(=C(C(=O)O1)O)O)O)O
HSA
176.124
2,792
8JEW
ELECTRON MICROSCOPY
2023-05-16
2024-05-22
null
null
null
null
8JEW
10
2.49
experimental
10.1038/s41467-024-49899-2
Homo sapiens
Homo sapiens
Solute carrier family 23 member 1
1
LBN
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
HSA
760.091
2,793
8JEW
ELECTRON MICROSCOPY
2023-05-16
2024-05-22
null
null
null
null
8JEW
10
2.49
experimental
10.1038/s41467-024-49899-2
Homo sapiens
Homo sapiens
Solute carrier family 23 member 1
1
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
2,794
8JEW
ELECTRON MICROSCOPY
2023-05-16
2024-05-22
null
null
null
null
8JEW
10
2.49
experimental
10.1038/s41467-024-49899-2
Homo sapiens
Homo sapiens
Solute carrier family 23 member 1
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
2,795
8JEW
ELECTRON MICROSCOPY
2023-05-16
2024-05-22
null
null
null
null
8JEW
10
2.49
experimental
10.1038/s41467-024-49899-2
Homo sapiens
Homo sapiens
Solute carrier family 23 member 1
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,797
2CEO
X-RAY DIFFRACTION
2006-02-08
2006-08-14
null
null
null
null
2CEO
4
2.8
experimental
10.1073/PNAS.0604080103
Escherichia coli BL21(DE3)
Homo sapiens
THYROXINE-BINDING GLOBULIN
1
T44
3,5,3',5'-TETRAIODO-L-THYRONINE
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N
HSA
776.872
2,800
2WUT
X-RAY DIFFRACTION
2009-10-09
2010-05-12
null
null
null
null
2WUT
3
1.85
experimental
10.1371/JOURNAL.PONE.0010300
Escherichia coli
Homo sapiens
MYELIN P2 PROTEIN
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,801
3KDM
X-RAY DIFFRACTION
2009-10-23
2010-05-26
null
null
null
null
3KDM
2
1.5
experimental
10.1002/jmr.1039
Escherichia coli
Homo sapiens
Immunoglobulin heavy chain
2
TES
TESTOSTERONE
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C
HSA
288.431
2,805
4A1Y
X-RAY DIFFRACTION
2011-09-20
2012-10-10
null
null
null
null
4A1Y
7
1.2
experimental
null
Escherichia coli BL21(DE3)
Homo sapiens
MYELIN P2 PROTEIN
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,807
4PFJ
X-RAY DIFFRACTION
2014-04-29
2014-10-01
null
null
null
null
4PFJ
4
2.3
experimental
10.1074/jbc.M114.597153
Escherichia coli
Homo sapiens
Adenosylhomocysteinase
1
NAD
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
HSA
663.43
2,808
4PFJ
X-RAY DIFFRACTION
2014-04-29
2014-10-01
null
null
null
null
4PFJ
4
2.3
experimental
10.1074/jbc.M114.597153
Escherichia coli
Homo sapiens
Adenosylhomocysteinase
1
ADN
ADENOSINE
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
HSA
267.245
2,811
5N4P
X-RAY DIFFRACTION
2017-02-11
2017-08-09
null
null
null
null
5N4P
3
1.533
experimental
10.1038/s41598-017-06781-0
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
2,813
5N4P
X-RAY DIFFRACTION
2017-02-11
2017-08-09
null
null
null
null
5N4P
3
1.533
experimental
10.1038/s41598-017-06781-0
Escherichia coli
Homo sapiens
Myelin P2 protein
1
VCA
VACCENIC ACID
CCCCCCC=CCCCCCCCCCC(=O)O
HSA
282.468
2,814
6.00E+70
X-RAY DIFFRACTION
2018-07-25
2019-07-31
null
null
null
null
6.00E+70
4
1.992
experimental
null
Escherichia coli
Homo sapiens
Transthyretin
1
1FL
5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O
HSA
250.2
2,817
6XVR
X-RAY DIFFRACTION
2020-01-22
2020-04-08
null
null
null
null
6XVR
4
2
experimental
10.1074/jbc.RA120.013087
Escherichia coli
Homo sapiens
Myelin P2 protein
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43