1AOJ
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7W9W
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![BU of 7w9w by Molmil](/molmil-images/mine/7w9w) | 2.02 angstrom cryo-EM structure of the pump-like channelrhodopsin ChRmine | 分子名称: | CHOLESTEROL, ChRmine, PALMITIC ACID, ... | 著者 | Kishi, K.E, Kim, Y, Fukuda, M, Yamashita, K, Deisseroth, K, Kato, H.E. | 登録日 | 2021-12-11 | 公開日 | 2022-02-02 | 最終更新日 | 2022-03-09 | 実験手法 | ELECTRON MICROSCOPY (2 Å) | 主引用文献 | Structural basis for channel conduction in the pump-like channelrhodopsin ChRmine. Cell, 185, 2022
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3ZVQ
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1I07
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![BU of 1i07 by Molmil](/molmil-images/mine/1i07) | EPS8 SH3 DOMAIN INTERTWINED DIMER | 分子名称: | EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8 | 著者 | Kishan, K.V.R, Newcomer, M.E. | 登録日 | 2001-01-29 | 公開日 | 2001-05-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain. Protein Sci., 10, 2001
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1I0C
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![BU of 1i0c by Molmil](/molmil-images/mine/1i0c) | EPS8 SH3 CLOSED MONOMER | 分子名称: | EPIDERMAL GROWTH FACTOR RECEPTOR KINASE SUBSTRATE EPS8 | 著者 | Kishan, K.V.R, Newcomer, M.E. | 登録日 | 2001-01-29 | 公開日 | 2001-05-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Effect of pH and salt bridges on structural assembly: molecular structures of the monomer and intertwined dimer of the Eps8 SH3 domain. Protein Sci., 10, 2001
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6UM8
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![BU of 6um8 by Molmil](/molmil-images/mine/6um8) | HIV Integrase in complex with Compound-14 | 分子名称: | (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, DI(HYDROXYETHYL)ETHER, Integrase, ... | 著者 | Khan, J.A, Kish, K. | 登録日 | 2019-10-09 | 公開日 | 2020-03-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors. J.Med.Chem., 63, 2020
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7U2U
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![BU of 7u2u by Molmil](/molmil-images/mine/7u2u) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | 分子名称: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | 著者 | Khan, J.A, lewis, H, Kish, K. | 登録日 | 2022-02-24 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors. Bioorg.Med.Chem., 67, 2022
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3HPT
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![BU of 3hpt by Molmil](/molmil-images/mine/3hpt) | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | 分子名称: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | 著者 | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | 登録日 | 2009-06-04 | 公開日 | 2009-11-17 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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5F95
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![BU of 5f95 by Molmil](/molmil-images/mine/5f95) | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.525 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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3K9X
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![BU of 3k9x by Molmil](/molmil-images/mine/3k9x) | X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE | 分子名称: | CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... | 著者 | Klei, H.E, Kish, K, Ghosh, K, Rushith, A. | 登録日 | 2009-10-16 | 公開日 | 2009-12-15 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577 Bioorg.Med.Chem.Lett., 19, 2009
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5F94
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![BU of 5f94 by Molmil](/molmil-images/mine/5f94) | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | 分子名称: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | 著者 | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | 登録日 | 2015-12-09 | 公開日 | 2016-02-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors. J.Med.Chem., 59, 2016
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2NW4
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![BU of 2nw4 by Molmil](/molmil-images/mine/2nw4) | Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with BMS-564929 | 分子名称: | 2-CHLORO-4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-3-METHYLBENZONITRILE, Androgen receptor | 著者 | Ostrowski, J, Kuhns, J.E, Lupisella, J.A, Manfredi, M.C, Beehler, B.C, Krystek, S.R, Bi, Y, Sun, C, Seethala, R, Golla, R, Sleph, P.G, Fura, A, An, Y, Kish, K.F, Sack, J.S, Mookhtiar, K.A, Grover, G.J, Hamann, L.G. | 登録日 | 2006-11-14 | 公開日 | 2006-12-12 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Pharmacological and x-ray structural characterization of a novel selective androgen receptor modulator: potent hyperanabolic stimulation of skeletal muscle with hypostimulation of prostate in rats. Endocrinology, 148, 2007
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4PTC
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![BU of 4ptc by Molmil](/molmil-images/mine/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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7T9H
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![BU of 7t9h by Molmil](/molmil-images/mine/7t9h) | HIV Integrase in complex with Compound-15 | 分子名称: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid, Integrase, MAGNESIUM ION | 著者 | Khan, J.A, Lewis, H, Kish, K. | 登録日 | 2021-12-19 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. J.Med.Chem., 65, 2022
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7T9O
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![BU of 7t9o by Molmil](/molmil-images/mine/7t9o) | HIV Integrase in complex with Compound-25 | 分子名称: | (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid, GLYCEROL, Integrase, ... | 著者 | Khan, J.A, Lewis, H, Kish, K. | 登録日 | 2021-12-19 | 公開日 | 2022-04-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Design, Synthesis, and Preclinical Profiling of GSK3739936 (BMS-986180), an Allosteric Inhibitor of HIV-1 Integrase with Broad-Spectrum Activity toward 124/125 Polymorphs. J.Med.Chem., 65, 2022
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4PTE
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![BU of 4pte by Molmil](/molmil-images/mine/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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4PTG
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![BU of 4ptg by Molmil](/molmil-images/mine/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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2Y1W
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![BU of 2y1w by Molmil](/molmil-images/mine/2y1w) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | 分子名称: | 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN | 著者 | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | 登録日 | 2010-12-10 | 公開日 | 2011-03-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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2Y1X
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![BU of 2y1x by Molmil](/molmil-images/mine/2y1x) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | 分子名称: | CHLORIDE ION, HISTONE-ARGININE METHYLTRANSFERASE CARM1, N-(3-{5-[5-(1H-INDOL-4-YL)-1,3,4-OXADIAZOL-2-YL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL}BENZYL)-L-ALANINAMIDE, ... | 著者 | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | 登録日 | 2010-12-10 | 公開日 | 2011-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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1A0G
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![BU of 1a0g by Molmil](/molmil-images/mine/1a0g) | L201A MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE | 分子名称: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, D-AMINO ACID AMINOTRANSFERASE | 著者 | Sugio, S, Kashima, A, Kishimoto, K, Peisach, D, Petsko, G.A, Ringe, D, Yoshimura, T, Esaki, N. | 登録日 | 1997-11-30 | 公開日 | 1998-06-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of L201A mutant of D-amino acid aminotransferase at 2.0 A resolution: implication of the structural role of Leu201 in transamination. Protein Eng., 11, 1998
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1YNY
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![BU of 1yny by Molmil](/molmil-images/mine/1yny) | Molecular Structure of D-Hydantoinase from a Bacillus sp. AR9: Evidence for mercury inhibition | 分子名称: | D-Hydantoinase, MANGANESE (II) ION | 著者 | Radha Kishan, K.V, Vohra, R.M, Ganeshan, K, Agrawal, V, Sharma, V.M, Sharma, R. | 登録日 | 2005-01-26 | 公開日 | 2005-03-01 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Molecular structure of D-hydantoinase from Bacillus sp. AR9: evidence for mercury inhibition. J.Mol.Biol., 347, 2005
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1MSS
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1TTJ
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![BU of 1ttj by Molmil](/molmil-images/mine/1ttj) | |
1TPF
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1TTI
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![BU of 1tti by Molmil](/molmil-images/mine/1tti) | |