1HPX
| HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | 分子名称: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | 著者 | Bhat, T.N, Erickson, J.W. | 登録日 | 1995-05-18 | 公開日 | 1996-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine. Structure, 3, 1995
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8SXU
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8SXT
| Structure of LINE-1 ORF2p with template:primer hybrid | 分子名称: | DNA primer, LINE-1 retrotransposable element ORF2 protein, MAGNESIUM ION, ... | 著者 | van Eeuwen, T, Taylor, M.S, Rout, M.P. | 登録日 | 2023-05-24 | 公開日 | 2024-01-10 | 最終更新日 | 2024-02-14 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structures, functions and adaptations of the human LINE-1 ORF2 protein. Nature, 626, 2024
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1LYW
| CATHEPSIN D AT PH 7.5 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CATHEPSIN D | 著者 | Lee, A.Y, Gulnik, S.V, Erickson, J.W. | 登録日 | 1998-06-30 | 公開日 | 1999-07-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Conformational switching in an aspartic proteinase. Nat.Struct.Biol., 5, 1998
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4XHD
| STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | 分子名称: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Khan, J.A, Camac, D.M. | 登録日 | 2015-01-05 | 公開日 | 2015-01-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
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3TG6
| Crystal Structure of Influenza A Virus nucleoprotein with Ligand | 分子名称: | Nucleocapsid protein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-chloropyridin-3-yl)-5-methyl-1,2-oxazol-4-yl]methanone | 著者 | Pearce, B.C, Lewis, H.A, McDonnell, P.A, Steinbacher, S, Kiefersauer, R, Mortl, M, Maskos, K, Edavettal, S, Baldwin, E.T, Langley, D.R. | 登録日 | 2011-08-17 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Biophysical and Structural Characterization of a Novel Class of Influenza Virus Inhibitors To be Published
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2GV9
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4PTC
| Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.711 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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4S0T
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4PTE
| Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b | 分子名称: | Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.033 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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4S0S
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4PTG
| Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b | 分子名称: | 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M. | 登録日 | 2014-03-10 | 公開日 | 2015-04-08 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.361 Å) | 主引用文献 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. Bioorg.Med.Chem.Lett., 25, 2015
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1NAP
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1TET
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1TVX
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4NWK
| Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | 分子名称: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4NWL
| Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | 分子名称: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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1QE6
| INTERLEUKIN-8 WITH AN ADDED DISULFIDE BETWEEN RESIDUES 5 AND 33 (L5C/H33C) | 分子名称: | INTERLEUKIN-8 VARIANT, SULFATE ION | 著者 | Gerber, N, Lowman, H, Artis, D.R, Eigenbrot, C. | 登録日 | 1999-07-13 | 公開日 | 2000-03-22 | 最終更新日 | 2018-01-31 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Receptor-binding conformation of the "ELR" motif of IL-8: X-ray structure of the L5C/H33C variant at 2.35 A resolution. Proteins, 38, 2000
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1ICW
| INTERLEUKIN-8, MUTANT WITH GLU 38 REPLACED BY CYS AND CYS 50 REPLACED BY ALA | 分子名称: | INTERLEUKIN-8 | 著者 | Eigenbrot, C, Lowman, H.B, Chee, L, Artis, D.R. | 登録日 | 1996-09-18 | 公開日 | 1997-03-12 | 最終更新日 | 2021-11-03 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structural change and receptor binding in a chemokine mutant with a rearranged disulfide: X-ray structure of E38C/C50AIL-8 at 2 A resolution. Proteins, 27, 1997
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