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
17,340
5FLC
ELECTRON MICROSCOPY
2015-10-23
2015-12-30
RAP
0.05
IC50
nM
5FLC
2
5.9
experimental
10.1126/SCIENCE.AAA3870
Spodoptera frugiperda
Homo sapiens
SERINE/THREONINE-PROTEIN KINASE MTOR
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
17,350
7TYF
ELECTRON MICROSCOPY
2022-02-13
2022-03-23
null
null
null
null
7TYF
15
2.2
experimental
10.1126/science.abm9609
Trichoplusia ni
Homo sapiens
Guanine nucleotide-binding protein G(s) subunit alpha isoforms short
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
17,361
6ICZ
ELECTRON MICROSCOPY
2018-09-07
2019-03-13
null
null
null
null
6ICZ
19
3
experimental
10.1038/s41422-019-0143-x
null
Homo sapiens
Protein CASC3
4
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
17,402
7W5B
ELECTRON MICROSCOPY
2021-11-29
2022-06-22
null
null
null
null
7W5B
19
4.3
experimental
10.1016/j.molcel.2022.05.021
null
Homo sapiens
U2 snRNA
9
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
17,447
8I0W
ELECTRON MICROSCOPY
2023-01-11
2024-07-31
null
null
null
null
8I0W
14
3.4
experimental
10.1038/s41467-024-50785-0
null
Homo sapiens
U2 snRNA
9
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
17,565
6PB0
ELECTRON MICROSCOPY
2019-06-12
2020-02-12
null
null
null
null
6PB0
12
3
experimental
10.1016/j.molcel.2020.01.013
Escherichia coli
synthetic construct
Nanobody 35
6
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
17,571
7TZF
ELECTRON MICROSCOPY
2022-02-15
2022-03-23
null
null
null
null
7TZF
18
2.4
experimental
10.1126/science.abm9609
Trichoplusia ni
Homo sapiens
Receptor activity-modifying protein 3
1
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
17,578
8F0K
ELECTRON MICROSCOPY
2022-11-03
2023-08-02
null
null
null
null
8F0K
17
1.9
experimental
10.1038/s41589-023-01393-4
Escherichia coli
Lama glama
Nanobody 35
7
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
17,585
8F2B
ELECTRON MICROSCOPY
2022-11-07
2023-08-02
null
null
null
null
8F2B
15
2
experimental
10.1038/s41589-023-01393-4
Trichoplusia ni
Homo sapiens
Calcitonin receptor
7
D6M
N-hexadecanoyl-L-glutamic acid
CCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O
HSA
385.545
17,592
8KCT
ELECTRON MICROSCOPY
2023-08-08
2024-08-14
null
null
null
null
8KCT
12
2.6
experimental
10.1038/s41594-024-01439-8
Homo sapiens
Homo sapiens
Presenilin-1
4
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
17,596
9MHF
ELECTRON MICROSCOPY
2024-12-11
2025-02-12
null
null
null
null
9MHF
5
2.73
experimental
10.1126/science.adl3787
Homo sapiens
Homo sapiens
Ras-related protein Rab-1A
5
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
17,601
9MHG
ELECTRON MICROSCOPY
2024-12-11
2025-02-12
null
null
null
null
9MHG
5
3.2
experimental
10.1126/science.adl3787
Escherichia coli BL21
Homo sapiens
Ras-related protein Rab-1A
5
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
17,606
5YZG
ELECTRON MICROSCOPY
2017-12-14
2018-08-08
null
null
null
null
5YZG
19
4.1
experimental
10.1126/science.aar6401
null
Homo sapiens
U5 small nuclear ribonucleoprotein 40 kDa protein
5
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
17,651
7W5A
ELECTRON MICROSCOPY
2021-11-29
2022-06-22
null
null
null
null
7W5A
19
3.6
experimental
10.1016/j.molcel.2022.05.021
null
Homo sapiens
Pre-mRNA-splicing factor SYF1
9
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
17,793
6M4U
X-RAY DIFFRACTION
2020-03-09
2020-08-26
RAP
0.6
IC50
nM
6M4U
24
2.2
experimental
10.1038/s41592-020-0913-x
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1A
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
17,809
6PB1
ELECTRON MICROSCOPY
2019-06-12
2020-02-12
null
null
null
null
6PB1
9
2.8
experimental
10.1016/j.molcel.2020.01.013
null
Homo sapiens
Urocortin
2
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
17,815
7TYX
ELECTRON MICROSCOPY
2022-02-14
2022-03-30
null
null
null
null
7TYX
13
2.55
experimental
10.1126/science.abm9609
Trichoplusia ni
Homo sapiens
Receptor activity-modifying protein 2
1
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
17,948
9CHV
ELECTRON MICROSCOPY
2024-07-02
2024-11-13
null
null
null
null
9CHV
1
3.95
experimental
10.1073/pnas.2414544121
Escherichia coli 'BL21-Gold(DE3)pLysS AG
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1A
3
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
17,951
9CHX
ELECTRON MICROSCOPY
2024-07-02
2024-11-13
null
null
null
null
9CHX
2
3.5
experimental
10.1073/pnas.2414544121
Escherichia coli
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1A
3
CAU
(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O
HSA
298.386
17,954
1FM6
X-RAY DIFFRACTION
2000-08-16
2001-02-16
null
null
null
null
1FM6
4
2.1
experimental
10.1016/S1097-2765(00)80448-7
null
null
STEROID RECEPTOR COACTIVATOR
3
9CR
(9cis)-retinoic acid
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
HSA
300.442
17,961
3J9F
ELECTRON MICROSCOPY
2015-01-15
2015-02-11
null
null
null
null
3J9F
2
9
experimental
10.1128/JVI.03101-14
null
Homo sapiens
Poliovirus receptor
7
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
17,974
5DXB
X-RAY DIFFRACTION
2015-09-23
2016-07-27
EST
28
IC50
nM
5DXB
5
2.08
experimental
10.1002/anie.201510557
null
Homo sapiens
Nuclear receptor coactivator 2
3
EST
ESTRADIOL
CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
HSA
272.388
18,150
9FMD
ELECTRON MICROSCOPY
2024-06-05
2024-07-10
null
null
null
null
9FMD
16
3.3
experimental
10.1038/s41586-024-07741-1
null
Homo sapiens
Eukaryotic initiation factor 4A-III
9
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
18,209
3A9E
X-RAY DIFFRACTION
2009-10-24
2010-10-06
754
4
EC50
nM
3A9E
2
2.75
experimental
10.1371/journal.pone.0015119
null
Homo sapiens
13-mer (LXXLL motif) from Nuclear receptor coactivator 2
3
754
(2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid
CCCOc1cc2c(cc1C(=CC=CC(=CC(=O)O)C)C)C(CCC2(C)C)(C)C
HSA
396.571
18,224
3DZY
X-RAY DIFFRACTION
2008-07-30
2008-10-28
BRL
396
EC50
nM
3DZY
6
3.1
experimental
10.1038/nature07413
null
null
NCOA2 Peptide
5
9CR
(9cis)-retinoic acid
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
HSA
300.442
18,330
3UUD
X-RAY DIFFRACTION
2011-11-28
2012-08-22
EST
4.4
IC50
nM
3UUD
6
1.6
experimental
10.1073/pnas.1203574109
Escherichia coli BL21(DE3)
Homo sapiens
Estrogen receptor
1
EST
ESTRADIOL
CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
HSA
272.388
18,458
5DX3
X-RAY DIFFRACTION
2015-09-23
2016-07-20
EST
0.75
EC50
nM
5DX3
3
2.0903
experimental
10.1002/anie.201510557
null
Homo sapiens
Stapled Peptide SRC2-P3
3
EST
ESTRADIOL
CC12CCC3c4ccc(cc4CCC3C1CCC2O)O
HSA
272.388
18,582
5JI0
X-RAY DIFFRACTION
2016-04-21
2017-04-26
9CR
583
Ki
nM
5JI0
2
1.98
experimental
null
null
Homo sapiens
Nuclear receptor coactivator 1
3
9CR
(9cis)-retinoic acid
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
HSA
300.442
18,718
6ONJ
X-RAY DIFFRACTION
2019-04-22
2020-03-04
BRL
14
EC50
nM
6ONJ
1
2.3
experimental
10.1038/s41467-020-14750-x
Escherichia coli
Homo sapiens
Mediator of RNA polymerase II transcription subunit 1, TRAP220 Coactivator Peptide
2
BRL
2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccccn3
HSA
357.435
18,789
9CHU
ELECTRON MICROSCOPY
2024-07-02
2024-11-13
null
null
null
null
9CHU
2
3.49
experimental
10.1073/pnas.2414544121
Escherichia coli 'BL21-Gold(DE3)pLysS AG
Homo sapiens
Peptidyl-prolyl cis-trans isomerase FKBP1A
3
E5E
Noradrenaline
c1cc(c(cc1C(C[NH3+])O)O)O
HSA
170.188
18,792
6M4W
X-RAY DIFFRACTION
2020-03-09
2020-08-26
RAP
0.05
IC50
nM
6M4W
4
3.11
experimental
10.1038/s41592-020-0913-x
Escherichia coli
Homo sapiens
Serine/threonine-protein kinase mTOR
3
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
18,799
7MHZ
ELECTRON MICROSCOPY
2021-04-16
2021-06-16
null
null
null
null
7MHZ
15
3.2
experimental
10.1126/science.abg4998
Mus musculus
Mus musculus
3H02 Fab light chain
4
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
18,803
7DVQ
ELECTRON MICROSCOPY
2021-01-14
2021-03-31
null
null
null
null
7DVQ
17
2.89
experimental
10.1126/science.abg0879
null
Homo sapiens
Small nuclear ribonucleoprotein-associated proteins B and B'
7
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
18,845
8H6K
ELECTRON MICROSCOPY
2022-10-18
2024-05-01
null
null
null
null
8H6K
5
2.7
experimental
10.1038/s41422-024-00949-w
null
Homo sapiens
pre-mRNA
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
18,894
7ABG
ELECTRON MICROSCOPY
2020-09-07
2020-12-23
null
null
null
null
7ABG
4
7.8
experimental
10.1126/science.abc3753
null
Homo sapiens
U2 small nuclear ribonucleoprotein B''
7
GTG
7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O
HSA
803.445
18,945
6AHD
ELECTRON MICROSCOPY
2018-08-17
2018-11-14
null
null
null
null
6AHD
3
3.8
experimental
10.1038/s41422-018-0094-7
null
Homo sapiens
pre-mRNA
5
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
19,083
5XJC
ELECTRON MICROSCOPY
2017-04-30
2017-07-05
null
null
null
null
5XJC
24
3.6
experimental
10.1016/j.cell.2017.04.033
null
Homo sapiens
Pre-mRNA-splicing factor SYF1
9
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
19,166
8H6E
ELECTRON MICROSCOPY
2022-10-17
2024-05-01
null
null
null
null
8H6E
4
3.2
experimental
10.1038/s41422-024-00949-w
null
Homo sapiens
U6 snRNA-associated Sm-like protein LSm8
9
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
19,213
8H6J
ELECTRON MICROSCOPY
2022-10-18
2024-05-01
null
null
null
null
8H6J
4
3.25
experimental
10.1038/s41422-024-00949-w
null
Homo sapiens
U6 snRNA-associated Sm-like protein LSm8
9
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
19,263
8KI3
ELECTRON MICROSCOPY
2023-08-22
2024-05-01
null
null
null
null
8KI3
11
2.89
experimental
10.1038/s41586-024-07605-8
null
Homo sapiens
ATP synthase subunit beta, mitochondrial
2
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
19,280
6N7K
ELECTRON MICROSCOPY
2018-11-27
2019-05-29
null
null
null
null
6N7K
38
6.5
experimental
10.1038/s41467-019-10234-9
Homo sapiens
Homo sapiens
Sonic hedgehog protein
2
NAG
2-acetamido-2-deoxy-beta-D-glucopyranose
CC(=O)NC1C(C(C(OC1O)CO)O)O
HSA
221.209
19,285
6N7G
ELECTRON MICROSCOPY
2018-11-27
2019-05-29
null
null
null
null
6N7G
38
6.8
experimental
10.1038/s41467-019-10234-9
Homo sapiens
Homo sapiens
Sonic hedgehog protein
2
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
19,290
6N7H
ELECTRON MICROSCOPY
2018-11-27
2019-05-29
null
null
null
null
6N7H
19
3.6
experimental
10.1038/s41467-019-10234-9
Homo sapiens
Homo sapiens
Sonic hedgehog protein
2
PLM
PALMITIC ACID
CCCCCCCCCCCCCCCC(=O)O
HSA
256.43
19,295
6RVD
ELECTRON MICROSCOPY
2019-05-31
2019-10-02
null
null
null
null
6RVD
15
3.5
experimental
10.1038/s41589-019-0370-y
Homo sapiens
Homo sapiens
Sonic hedgehog protein
2
CLR
CHOLESTEROL
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
HSA
386.664
19,514
8PJ3
ELECTRON MICROSCOPY
2023-06-22
2024-08-14
null
null
null
null
8PJ3
93
3.7
experimental
10.1038/s41594-024-01378-4
null
Homo sapiens
Eukaryotic translation initiation factor 3 subunit H
9
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
19,725
8PJ4
ELECTRON MICROSCOPY
2023-06-22
2024-08-14
null
null
null
null
8PJ4
93
3.2
experimental
10.1038/s41594-024-01378-4
null
Homo sapiens
Eukaryotic translation initiation factor 3 subunit H
9
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
19,934
9CN3
ELECTRON MICROSCOPY
2024-07-15
2025-04-23
null
null
null
null
9CN3
106
2.62
experimental
10.1093/nar/gkaf046
null
Homo sapiens
39S ribosomal protein L36, mitochondrial
5
ZLD
N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCOCC3
HSA
337.351
20,127
8RO2
ELECTRON MICROSCOPY
2024-01-11
2024-09-18
null
null
null
null
8RO2
5
3.5
experimental
10.1038/s41586-024-07741-1
null
Homo sapiens
CWF19-like protein 1
9
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