2LL4
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2LL3
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8VB1
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![BU of 8vb1 by Molmil](/molmil-images/mine/8vb1) | Crystal structure of HIV-1 protease with GS-9770 | 分子名称: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | 著者 | Lansdon, E.B. | 登録日 | 2023-12-11 | 公開日 | 2024-03-06 | 最終更新日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability. Antimicrob.Agents Chemother., 68, 2024
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5DWR
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![BU of 5dwr by Molmil](/molmil-images/mine/5dwr) | Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | 分子名称: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | 著者 | Bellamacina, C, Bussiere, D, Burger, M. | 登録日 | 2015-09-22 | 公開日 | 2015-11-11 | 最終更新日 | 2015-11-25 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies. J.Med.Chem., 58, 2015
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5KZA
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![BU of 5kza by Molmil](/molmil-images/mine/5kza) | Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I41 | 分子名称: | 1,2-ETHANEDIOL, NITRATE ION, virus matrix protein | 著者 | Kingston, R.L, Chan, J, Vogt, V.M. | 登録日 | 2016-07-24 | 公開日 | 2017-07-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties. Biophys. J., 113, 2017
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4IG7
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5KZB
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8A6O
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8A6S
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8A6R
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8A6G
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8A6N
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8A6P
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8A6Q
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8A7V
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2W9T
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![BU of 2w9t by Molmil](/molmil-images/mine/2w9t) | Staphylococcus aureus S1:DHFR | 分子名称: | DIHYDROFOLATE REDUCTASE TYPE 1 | 著者 | Soutter, H.H, Miller, J.R. | 登録日 | 2009-01-28 | 公開日 | 2009-03-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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2W9S
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![BU of 2w9s by Molmil](/molmil-images/mine/2w9s) | Staphylococcus aureus S1:DHFR in complex with trimethoprim | 分子名称: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Soutter, H.H, Miller, J.R. | 登録日 | 2009-01-28 | 公開日 | 2009-03-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim. Proteins, 76, 2009
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5MZ3
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![BU of 5mz3 by Molmil](/molmil-images/mine/5mz3) | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | 著者 | Cowan-Jacob, S.W, Scheufler, C. | 登録日 | 2017-01-30 | 公開日 | 2017-11-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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7UTF
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![BU of 7utf by Molmil](/molmil-images/mine/7utf) | Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol | 分子名称: | CITRATE ANION, Putative oxidoreductase, aryl-alcohol dehydrogenase like protein, ... | 著者 | Abraham, N, Schroeter, K.L, Kimber, M.S, Seah, S.Y.K. | 登録日 | 2022-04-26 | 公開日 | 2022-09-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol. Sci Rep, 12, 2022
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5BV7
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![BU of 5bv7 by Molmil](/molmil-images/mine/5bv7) | Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ... | 著者 | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | 登録日 | 2015-06-04 | 公開日 | 2015-12-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism. J.Biol.Chem., 291, 2016
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5K4J
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![BU of 5k4j by Molmil](/molmil-images/mine/5k4j) | Crystal Structure of CDK2 in complex with compound 22 | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | 著者 | Yin, J, Wang, W. | 登録日 | 2016-05-20 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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5K4I
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![BU of 5k4i by Molmil](/molmil-images/mine/5k4i) | Crystal Structure of ERK2 in complex with compound 22 | 分子名称: | 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1 | 著者 | Yin, J, Wang, W. | 登録日 | 2016-05-20 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development. J.Med.Chem., 59, 2016
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3PUH
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9ENB
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9ENE
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