4ALG
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![BU of 4alg by Molmil](/molmil-images/mine/4alg) | N-Terminal Bromodomain of Human BRD2 With IBET-151 | 分子名称: | 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ... | 著者 | Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O. | 登録日 | 2012-03-03 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A). Bioorg.Med.Chem.Lett., 22, 2012
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4ACO
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4C94
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![BU of 4c94 by Molmil](/molmil-images/mine/4c94) | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | 登録日 | 2013-10-02 | 公開日 | 2013-10-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates. J.Biol.Chem., 288, 2013
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3UPE
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![BU of 3upe by Molmil](/molmil-images/mine/3upe) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-18 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UWI
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![BU of 3uwi by Molmil](/molmil-images/mine/3uwi) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-12-02 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UQO
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![BU of 3uqo by Molmil](/molmil-images/mine/3uqo) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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2WEY
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![BU of 2wey by Molmil](/molmil-images/mine/2wey) | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | 分子名称: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | 著者 | Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J. | 登録日 | 2009-04-02 | 公開日 | 2009-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure. Acta Crystallogr.,Sect.D, 65, 2009
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4CLF
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![BU of 4clf by Molmil](/molmil-images/mine/4clf) | Crystal structure of human soluble Adenylyl Cyclase (Apo form) | 分子名称: | ACETATE ION, ADENYLATE CYCLASE TYPE 10, GLYCEROL | 著者 | Kleinboelting, S, Moniot, S, Weyand, M, Steegborn, C. | 登録日 | 2014-01-14 | 公開日 | 2014-03-05 | 最終更新日 | 2019-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal Structures of Human Soluble Adenylyl Cyclase Reveal Mechanisms of Catalysis and of its Activation Through Bicarbonate. Proc.Natl.Acad.Sci.USA, 111, 2014
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3V12
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![BU of 3v12 by Molmil](/molmil-images/mine/3v12) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-12-09 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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2VU4
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![BU of 2vu4 by Molmil](/molmil-images/mine/2vu4) | Structure of PsbP protein from Spinacia oleracea at 1.98 A resolution | 分子名称: | OXYGEN-EVOLVING ENHANCER PROTEIN 2, ZINC ION | 著者 | Lapkouski, M, Ristvejova, R, Arellano, J.B, Revuelta, J.L, Kuta Smatanova, I, Ettrich, R. | 登録日 | 2008-05-21 | 公開日 | 2009-07-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic Psbp from Spinacia Oleracea. Plos One, 7, 2012
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4AUV
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![BU of 4auv by Molmil](/molmil-images/mine/4auv) | Crystal Structure of the BRMS1 N-terminal region | 分子名称: | ACETIC ACID, BREAST CANCER METASTASIS SUPPRESSOR 1, CHLORIDE ION, ... | 著者 | Spinola-Amilibia, M, Rivera, J, Ortiz-Lombardia, M, Romero, A, Neira, J.L, Bravo, J. | 登録日 | 2012-05-22 | 公開日 | 2013-03-20 | 最終更新日 | 2019-11-06 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Brms151-98 and Brms151-84 are Crystal Oligomeric Coiled Coils with Different Oligomerization States, which Behave as Disordered Protein Fragments in Solution. J.Mol.Biol., 425, 2013
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3UNQ
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![BU of 3unq by Molmil](/molmil-images/mine/3unq) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-16 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UUZ
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![BU of 3uuz by Molmil](/molmil-images/mine/3uuz) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-29 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UNS
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![BU of 3uns by Molmil](/molmil-images/mine/3uns) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-16 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3UOP
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![BU of 3uop by Molmil](/molmil-images/mine/3uop) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-17 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3VCH
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![BU of 3vch by Molmil](/molmil-images/mine/3vch) | Thaumatin by Classical Hanging Drop Vapour Diffusion after 9.05 MGy X-Ray dose at ESRF ID29 beamline (Best Case) | 分子名称: | GLYCEROL, Thaumatin I | 著者 | Belmonte, L, Pechkova, E, Scudieri, D, Nicolini, C. | 登録日 | 2012-01-04 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Langmuir-blodgett nanotemplate and radiation resistance in protein crystals: state of the art. Crit Rev Eukaryot Gene Expr, 22, 2012
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1SZD
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![BU of 1szd by Molmil](/molmil-images/mine/1szd) | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases | 分子名称: | ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, GLYCEROL, ... | 著者 | Zhao, K, Harshaw, R, Chai, X, Marmorstein, R. | 登録日 | 2004-04-05 | 公開日 | 2004-06-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD(+)-dependent Sir2 histone/protein deacetylases. Proc.Natl.Acad.Sci.Usa, 101, 2004
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1EUZ
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![BU of 1euz by Molmil](/molmil-images/mine/1euz) | GLUTAMATE DEHYDROGENASE FROM THERMOCOCCUS PROFUNDUS IN THE UNLIGATED STATE | 分子名称: | GLUTAMATE DEHYDROGENASE, SULFATE ION | 著者 | Nakasako, M. | 登録日 | 2000-04-19 | 公開日 | 2001-04-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Large-scale domain movements and hydration structure changes in the active-site cleft of unligated glutamate dehydrogenase from Thermococcus profundus studied by cryogenic X-ray crystal structure analysis and small-angle X-ray scattering. Biochemistry, 40, 2001
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1E57
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2QN4
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![BU of 2qn4 by Molmil](/molmil-images/mine/2qn4) | Structure and function study of rice bifunctional alpha-amylase/subtilisin inhibitor from Oryza sativa | 分子名称: | Alpha-amylase/subtilisin inhibitor | 著者 | Peng, W.Y, Lin, Y.H, Huang, Y.C, Guan, H.H, Hsieh, Y.C, Chen, C.J. | 登録日 | 2007-07-18 | 公開日 | 2008-07-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure and Function Study of Rice Bifunctional Alpha-Amylase/Subtilisin Inhibitor from Oryza Sativa To be Published
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3UQV
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![BU of 3uqv by Molmil](/molmil-images/mine/3uqv) | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-11-21 | 公開日 | 2012-11-21 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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2WAP
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![BU of 2wap by Molmil](/molmil-images/mine/2wap) | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845 | 分子名称: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | 著者 | Mileni, M, Kamtekar, S, Stevens, R.C. | 登録日 | 2009-02-11 | 公開日 | 2009-05-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain. Chem.Biol., 16, 2009
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3UY9
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![BU of 3uy9 by Molmil](/molmil-images/mine/3uy9) | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | 分子名称: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | 登録日 | 2011-12-06 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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3W2S
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![BU of 3w2s by Molmil](/molmil-images/mine/3w2s) | EGFR kinase domain with compound4 | 分子名称: | 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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3W2O
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![BU of 3w2o by Molmil](/molmil-images/mine/3w2o) | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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