Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
1ADW
DownloadVisualize
BU of 1adw by Molmil
PSEUDOAZURIN
Descriptor: COPPER (II) ION, PSEUDOAZURIN
Authors:Williams, P.A.
Deposit date:1997-02-18
Release date:1997-05-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pseudospecific docking surfaces on electron transfer proteins as illustrated by pseudoazurin, cytochrome c550 and cytochrome cd1 nitrite reductase.
Nat.Struct.Biol., 2, 1995
1AOM
DownloadVisualize
BU of 1aom by Molmil
SUBSTRATE AND PRODUCT BOUND TO CYTOCHROME CD1 NITRITE REDUCTASE
Descriptor: HEME D, NITRIC OXIDE, NITRITE REDUCTASE, ...
Authors:Williams, P.A, Fulop, V.
Deposit date:1997-07-08
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1AOF
DownloadVisualize
BU of 1aof by Molmil
CYTOCHROME CD1 NITRITE REDUCTASE, REDUCED FORM
Descriptor: HEME D, NITRITE REDUCTASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Williams, P.A, Fulop, V.
Deposit date:1997-07-02
Release date:1997-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1AOQ
DownloadVisualize
BU of 1aoq by Molmil
CYTOCHROME CD1 NITRITE REDUCTASE WITH SUBSTRATE AND PRODUCT BOUND
Descriptor: HEME D, NITRIC OXIDE, NITRITE REDUCTASE, ...
Authors:Williams, P.A, Fulop, V.
Deposit date:1997-07-09
Release date:1998-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haem-ligand switching during catalysis in crystals of a nitrogen-cycle enzyme.
Nature, 389, 1997
1W6S
DownloadVisualize
BU of 1w6s by Molmil
The high resolution structure of methanol dehydrogenase from methylobacterium extorquens
Descriptor: CALCIUM ION, GLYCEROL, METHANOL DEHYDROGENASE SUBUNIT 1, ...
Authors:Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood, S.P, Anthony, C, Cooper, J.B.
Deposit date:2004-08-23
Release date:2004-12-21
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens
Acta Crystallogr.,Sect.D, 61, 2005
1W0E
DownloadVisualize
BU of 1w0e by Molmil
Crystal structure of human cytochrome P450 3A4
Descriptor: CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0G
DownloadVisualize
BU of 1w0g by Molmil
Crystal structure of human cytochrome P450 3A4
Descriptor: CYTOCHROME P450 3A4, METYRAPONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
1W0F
DownloadVisualize
BU of 1w0f by Molmil
Crystal structure of human cytochrome P450 3A4
Descriptor: CYTOCHROME P450 3A4, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A, Cosme, J, Vinkovic, D.M, Ward, A, Angove, H.C, Day, P.J, Vonrhein, C, Tickle, I.J, Jhoti, H.
Deposit date:2004-06-03
Release date:2004-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
Science, 305, 2004
2CUA
DownloadVisualize
BU of 2cua by Molmil
THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS
Descriptor: DINUCLEAR COPPER ION, PROTEIN (CUA), ZINC ION
Authors:Williams, P.A, Blackburn, N.J, Sanders, D, Bellamy, H, Stura, E.A, Fee, J.A, Mcree, D.E.
Deposit date:1999-02-18
Release date:1999-05-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution.
Nat.Struct.Biol., 6, 1999
2C8S
DownloadVisualize
BU of 2c8s by Molmil
CYTOCHROME CL FROM METHYLOBACTERIUM EXTORQUENS
Descriptor: CALCIUM ION, CYTOCHROME C-L, PROTOPORPHYRIN IX CONTAINING FE
Authors:Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood J, S.P, Cooper, B, Anthony, C.
Deposit date:2005-12-06
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The 1.6A X-Ray Structure of the Unusual C-Type Cytochrome, Cytochrome Cl, from the Methylotrophic Bacterium Methylobacterium Extorquens.
J.Mol.Biol., 357, 2006
1OG2
DownloadVisualize
BU of 1og2 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-23
Release date:2003-07-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
1OG5
DownloadVisualize
BU of 1og5 by Molmil
Structure of human cytochrome P450 CYP2C9
Descriptor: CYTOCHROME P450 2C9, HEME C, S-WARFARIN
Authors:Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H.
Deposit date:2003-04-24
Release date:2003-07-17
Last modified:2011-11-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
1DT6
DownloadVisualize
BU of 1dt6 by Molmil
STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
Descriptor: CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ...
Authors:Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E.
Deposit date:2000-01-11
Release date:2000-09-27
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
6H6R
DownloadVisualize
BU of 6h6r by Molmil
Fragment Derived XIAP inhibitor
Descriptor: 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
6H6Q
DownloadVisualize
BU of 6h6q by Molmil
Fragment Derived XIAP inhibitor
Descriptor: 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Williams, P.A.
Deposit date:2018-07-30
Release date:2018-08-22
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660).
J. Med. Chem., 61, 2018
5OQW
DownloadVisualize
BU of 5oqw by Molmil
XIAP in complex with small molecule
Descriptor: 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2017-08-14
Release date:2018-06-27
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNF alpha-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth.
Mol. Cancer Ther., 17, 2018
5M6E
DownloadVisualize
BU of 5m6e by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase XIAP, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6L
DownloadVisualize
BU of 5m6l by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6N
DownloadVisualize
BU of 5m6n by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, Baculoviral IAP repeat-containing protein 2, SULFATE ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6M
DownloadVisualize
BU of 5m6m by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6H
DownloadVisualize
BU of 5m6h by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6F
DownloadVisualize
BU of 5m6f by Molmil
Small Molecule inhibitors of IAP
Descriptor: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
Authors:Williams, P.A.
Deposit date:2016-10-25
Release date:2017-05-24
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
7BJ6
DownloadVisualize
BU of 7bj6 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Williams, P.A.
Deposit date:2021-01-14
Release date:2021-04-07
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BJ0
DownloadVisualize
BU of 7bj0 by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one, E3 ubiquitin-protein ligase Mdm2
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7BIR
DownloadVisualize
BU of 7bir by Molmil
Inhibitor of MDM2-p53 Interaction
Descriptor: 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Williams, P.A.
Deposit date:2021-01-13
Release date:2021-04-07
Last modified:2021-04-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Potent and Orally Active Isoindolinone Inhibitors of MDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021

 

1234>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon