4OJR
 
 | | Crystal Structure of the HIV-1 Integrase catalytic domain with GSK1264 | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, CACODYLATE ION, HIV-1 Integrase, ... | | Authors: | Gupta, K, Brady, T, Dyer, B, Hwang, Y, Male, F, Nolte, R.T, Wang, L, Velthuisen, E, Jeffrey, J, Van Duyne, G, Bushman, F.D. | | Deposit date: | 2014-01-21 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Allosteric Inhibition of Human Immunodeficiency Virus Integrase: LATE BLOCK DURING VIRAL REPLICATION AND ABNORMAL MULTIMERIZATION INVOLVING SPECIFIC PROTEIN DOMAINS.
J.Biol.Chem., 289, 2014
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1YWN
 | | Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine | | Descriptor: | N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2 | | Authors: | Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T. | | Deposit date: | 2005-02-18 | | Release date: | 2005-08-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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2YNF
 | | HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560 | | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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2YNH
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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2YNI
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK952 | | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-15 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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2YNG
 | | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | | Deposit date: | 2012-10-14 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
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1Y6B
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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1Y6A
 | | Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor | | Descriptor: | N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2 | | Authors: | Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A. | | Deposit date: | 2004-12-05 | | Release date: | 2005-06-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
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2GPV
 | | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide | | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma, Nuclear receptor corepressor 2 | | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | | Deposit date: | 2006-04-18 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
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2GPP
 | | Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 | | Descriptor: | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | | Deposit date: | 2006-04-18 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
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2GPO
 | | Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 | | Descriptor: | Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | | Deposit date: | 2006-04-18 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
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2GPU
 | | Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen | | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-Miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | | Deposit date: | 2006-04-18 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
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2GP7
 | | Estrogen Related Receptor-gamma ligand binding domain | | Descriptor: | CALCIUM ION, Estrogen-related receptor gamma | | Authors: | Wang, L, Zuercher, W.J, Consler, T.G, Lambert, M.H, Miller, A.B, Osband-miller, L.A, McKee, D.D, Willson, T.M, Nolte, R.T. | | Deposit date: | 2006-04-17 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | X-ray crystal structures of the estrogen-related receptor-gamma ligand binding domain in three functional states reveal the molecular basis of small molecule regulation.
J.Biol.Chem., 281, 2006
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1KKQ
 | | Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif | | Descriptor: | N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR | | Authors: | Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J. | | Deposit date: | 2001-12-10 | | Release date: | 2002-02-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
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1K5J
 | | The Crystal Structure of Nucleoplasmin-Core | | Descriptor: | Nucleoplasmin Core | | Authors: | Dutta, S, Akey, I.V, Dingwall, C, Hartman, K.L, Laue, T, Nolte, R.T, Head, J.F, Akey, C.W. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of nucleoplasmin-core: implications for histone binding and nucleosome assembly.
Mol.Cell, 8, 2001
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1F0J
 | | CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B | | Descriptor: | ARSENIC, MAGNESIUM ION, PHOSPHODIESTERASE 4B, ... | | Authors: | Xu, R.X, Hassell, A.M, Vanderwall, D, Lambert, M.H, Holmes, W.D, Luther, M.A, Rocque, W.J, Milburn, M.V, Zhao, Y, Ke, H, Nolte, R.T. | | Deposit date: | 2000-05-16 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
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1RO9
 | | CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH 8-Br-AMP | | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4B | | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | | Deposit date: | 2003-12-01 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
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1RO6
 | | Crystal structure of PDE4B2B complexed with Rolipram (R & S) | | Descriptor: | ARSENIC, MANGANESE (II) ION, ROLIPRAM, ... | | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | | Deposit date: | 2003-12-01 | | Release date: | 2004-12-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
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1ROR
 | | CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4B | | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | | Deposit date: | 2003-12-02 | | Release date: | 2004-12-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram.
J.Mol.Biol., 337, 2004
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3N00
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6ZTC
 | | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | | Descriptor: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | | Authors: | Somers, D.O. | | Deposit date: | 2020-07-17 | | Release date: | 2021-07-28 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
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4Z2A
 | | Crystal structure of unglycosylated apo human furin @1.89A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Furin, ... | | Authors: | Gampe, R.T, Pearce, K, Reid, R. | | Deposit date: | 2015-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | BacMam production and crystal structure of nonglycosylated apo human furin at 1.89A resolution
Acta Crystallogr.,Sect.F, 2019
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5HOT
 | | Structural Basis for Inhibitor-Induced Aggregation of HIV-1 Integrase | | Descriptor: | (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinolin-3-yl]ethanoic acid, Integrase | | Authors: | Gupta, K, Turkki, V, Sherrill-Mix, S, Hwang, Y, Eilers, G, Taylor, L, McDanal, C, Wang, P, Temelkoff, D, Nolte, R, Velthuisen, E, Jeffrey, J, Van Duyne, G.D, Bushman, F.D. | | Deposit date: | 2016-01-19 | | Release date: | 2016-12-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (4.4 Å) | | Cite: | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
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7LCU
 | | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | | Descriptor: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Campobasso, N, Reid, R. | | Deposit date: | 2021-01-11 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
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3B3K
 | | Crystal structure of the complex between PPARgamma and the full agonist LT175 | | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Crestani, M, Godio, C. | | Deposit date: | 2007-10-22 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
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