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3V4A
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BU of 3v4a by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 2
Descriptor: (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION
Authors:Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
Deposit date:2011-12-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
3V49
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BU of 3v49 by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 1
Descriptor: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ...
Authors:Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
Deposit date:2011-12-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
2J5W
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BU of 2j5w by Molmil
Ceruloplasmin revisited: structural and functional roles of various metal cation binding sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CERULOPLASMIN, ...
Authors:Bento, I, Peixoto, C, Zaitsev, V.N, Lindley, P.F.
Deposit date:2006-09-19
Release date:2007-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ceruloplasmin Revisited: Structural and Functional Roles of Various Metal Cation-Binding Sites.
Acta Crystallogr.,Sect.D, 63, 2007
1E3G
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BU of 1e3g by Molmil
Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881)
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, ANDROGEN RECEPTOR
Authors:Matias, P.M, Donner, P, Coelho, R, Thomaz, M, Peixoto, C, Macedo, S, Otto, N, Joschko, S, Scholz, P, Wegg, A, Basler, S, Schafer, M, Ruff, M, Egner, U, Carrondo, M.A.
Deposit date:2000-06-14
Release date:2001-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations.
J. Biol. Chem., 275, 2000
1E3K
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BU of 1e3k by Molmil
Human Progesteron Receptor Ligand Binding Domain in complex with the ligand metribolone (R1881)
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, PROGESTERONE RECEPTOR
Authors:Matias, P.M, Donner, P, Coelho, R, Thomaz, M, Peixoto, C, Macedo, S, Otto, N, Joschko, S, Scholz, P, Wegg, A, Basler, S, Schafer, M, Egner, U, Carrondo, M.A.
Deposit date:2000-06-19
Release date:2001-06-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural evidence for ligand specificity in the binding domain of the human androgen receptor. Implications for pathogenic gene mutations.
J. Biol. Chem., 275, 2000
6YJM
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BU of 6yjm by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
Descriptor: (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ...
Authors:Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M.
Deposit date:2020-04-03
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
8OKU
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BU of 8oku by Molmil
Salt-Inducible Kinase 3 in complex with an inhibitor
Descriptor: Serine/threonine-protein kinase SIK3, ~{N}-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxy-benzamide
Authors:Flower, T.G, Leonard, P.M, Lamers, M.B.A.C, Mollat, P.
Deposit date:2023-03-29
Release date:2024-01-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Optimization of Selectivity and Pharmacokinetic Properties of Salt-Inducible Kinase Inhibitors that Led to the Discovery of Pan-SIK Inhibitor GLPG3312.
J.Med.Chem., 67, 2024
5M7M
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BU of 5m7m by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Descriptor: CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ...
Authors:Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-10-28
Release date:2017-08-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
5MHP
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BU of 5mhp by Molmil
Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity
Descriptor: 2-[[2-ethyl-8-methyl-6-[4-[2-(3-oxidanylazetidin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Fleury, D, Mueller, I, Lamers, M, Triballeau, N, Mollat, P, Vercheval, L.
Deposit date:2016-11-25
Release date:2017-08-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of 2-[[2-Ethyl-6-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)thiazole-5-carbonitrile (GLPG1690), a First-in-Class Autotaxin Inhibitor Undergoing Clinical Evaluation for the Treatment of Idiopathic Pulmonary Fibrosis.
J. Med. Chem., 60, 2017

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