4FLG
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![BU of 4flg by Molmil](/molmil-images/mine/4flg) | HIV-1 protease mutant I47V complexed with reaction intermediate | 分子名称: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | 著者 | Yu, X, Shen, C.H, Weber, I.T. | 登録日 | 2012-06-14 | 公開日 | 2012-10-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Capturing the Reaction Pathway in Near-Atomic-Resolution Crystal Structures of HIV-1 Protease. Biochemistry, 51, 2012
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2ZGB
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![BU of 2zgb by Molmil](/molmil-images/mine/2zgb) | Thrombin Inhibition | 分子名称: | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | 著者 | Baum, B, Heine, A, Klebe, G. | 登録日 | 2008-01-21 | 公開日 | 2008-12-16 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. J.Mol.Biol., 397, 2010
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2ZHQ
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![BU of 2zhq by Molmil](/molmil-images/mine/2zhq) | Thrombin Inhibition | 分子名称: | Hirudin variant-1, N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide, SODIUM ION, ... | 著者 | Baum, B, Heine, A, Klebe, G. | 登録日 | 2008-02-08 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. J.Mol.Biol., 397, 2010
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2ZI2
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![BU of 2zi2 by Molmil](/molmil-images/mine/2zi2) | Thrombin Inhibition | 分子名称: | 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, BENZAMIDINE, Hirudin variant-1, ... | 著者 | Baum, B, Heine, A, Klebe, G. | 登録日 | 2008-02-13 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. J.Mol.Biol., 397, 2010
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2ZC9
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![BU of 2zc9 by Molmil](/molmil-images/mine/2zc9) | Thrombin in complex with Inhibitor | 分子名称: | D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | 著者 | Baum, B, Heine, A, Klebe, G. | 登録日 | 2007-11-06 | 公開日 | 2008-10-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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4FF7
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![BU of 4ff7 by Molmil](/molmil-images/mine/4ff7) | |
3K7F
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![BU of 3k7f by Molmil](/molmil-images/mine/3k7f) | Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase' | 分子名称: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ... | 著者 | Mileni, M, Stevens, R.C, Boger, D.L. | 登録日 | 2009-10-13 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase. J.Med.Chem., 53, 2010
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4GT6
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![BU of 4gt6 by Molmil](/molmil-images/mine/4gt6) | |
4HA4
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![BU of 4ha4 by Molmil](/molmil-images/mine/4ha4) | Structure of beta-glycosidase from Acidilobus saccharovorans in complex with glycerol | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Beta-galactosidase, GLYCEROL, ... | 著者 | Trofimov, A.A, Polyakov, K.M, Tikhonov, A.V, Bezsudnova, E.Y, Dorovatovskii, P.V, Gumerov, V.M, Ravin, N.V, Skryabin, K.G, Popov, V.O. | 登録日 | 2012-09-25 | 公開日 | 2012-10-10 | 最終更新日 | 2013-09-04 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Structures of beta-glycosidase from Acidilobus saccharovorans in complexes with tris and glycerol. Dokl.Biochem.Biophys., 449
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4IJK
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![BU of 4ijk by Molmil](/molmil-images/mine/4ijk) | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 | 分子名称: | 3-ketoacyl-acyl carrier protein reductase (FabG), SODIUM ION | 著者 | Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I.G, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-12-21 | 公開日 | 2013-01-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Helicobacter pylori 26695 To be Published
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3C52
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![BU of 3c52 by Molmil](/molmil-images/mine/3c52) | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with phosphoglycolohydroxamic acid, a competitive inhibitor | 分子名称: | CALCIUM ION, Fructose-bisphosphate aldolase, PHOSPHOGLYCOLOHYDROXAMIC ACID, ... | 著者 | Coincon, M, Sygusch, J. | 登録日 | 2008-01-30 | 公開日 | 2008-08-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Synthesis and Biochemical Evaluation of Selective Inhibitors of Class II Fructose Bisphosphate Aldolases: Towards New Synthetic Antibiotics. Chemistry, 14, 2008
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4IMZ
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![BU of 4imz by Molmil](/molmil-images/mine/4imz) | Structural Basis of Substrate Specificity and Protease Inhibition in Norwalk Virus | 分子名称: | Genome polyprotein, SODIUM ION, THIOCYANATE ION, ... | 著者 | Prasad, B.V.V, Muhaxhiri, Z, Deng, L, Shanker, S, Sankaran, B, Estes, M.K, Palzkill, T, Song, Y. | 登録日 | 2013-01-03 | 公開日 | 2013-02-20 | 最終更新日 | 2013-04-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural basis of substrate specificity and protease inhibition in norwalk virus. J.Virol., 87, 2013
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4FLJ
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![BU of 4flj by Molmil](/molmil-images/mine/4flj) | Human MetAP1 with bengamide analog Y08, in Mn form | 分子名称: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | 著者 | Ye, Q.Z, Xu, W. | 登録日 | 2012-06-14 | 公開日 | 2012-09-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. J.Med.Chem., 55, 2012
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4FM6
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3HZO
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4GPJ
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![BU of 4gpj by Molmil](/molmil-images/mine/4gpj) | Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand | 分子名称: | (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | 著者 | Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Heightman, T.D, Brennan, P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2012-08-21 | 公開日 | 2012-10-17 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4, 2013
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3K5I
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![BU of 3k5i by Molmil](/molmil-images/mine/3k5i) | Crystal structure of N5-carboxyaminoimidazole synthase from aspergillus clavatus in complex with ADP and 5-aminoimadazole ribonucleotide | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-AMINOIMIDAZOLE RIBONUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Thoden, J.B, Holden, H.M, Paritala, H, Firestine, S.M. | 登録日 | 2009-10-07 | 公開日 | 2009-10-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and functional studies of Aspergillus clavatus N(5)-carboxyaminoimidazole ribonucleotide synthetase Biochemistry, 49, 2010
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1RS0
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![BU of 1rs0 by Molmil](/molmil-images/mine/1rs0) | Crystal Structure Analysis of the Bb segment of Factor B complexed with Di-isopropyl-phosphate (DIP) | 分子名称: | Complement factor B, DIISOPROPYL PHOSPHONATE, IODIDE ION, ... | 著者 | Ponnuraj, K, Xu, Y, Macon, K, Moore, D, Volanakis, J.E, Narayana, S.V. | 登録日 | 2003-12-09 | 公開日 | 2004-12-14 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural analysis of engineered Bb fragment of complement factor B: insights into the activation mechanism of the alternative pathway C3-convertase. Mol.Cell, 14, 2004
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3BLJ
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![BU of 3blj by Molmil](/molmil-images/mine/3blj) | Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment | 分子名称: | CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) polymerase 15, ... | 著者 | Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC) | 登録日 | 2007-12-11 | 公開日 | 2007-12-25 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. J.Biol.Chem., 290, 2015
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3B3W
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![BU of 3b3w by Molmil](/molmil-images/mine/3b3w) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine | 分子名称: | Bacterial leucyl aminopeptidase, LEUCINE, SODIUM ION, ... | 著者 | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | 登録日 | 2007-10-22 | 公開日 | 2007-11-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3KBK
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![BU of 3kbk by Molmil](/molmil-images/mine/3kbk) | Epi-isozizaene synthase complexed with Hg | 分子名称: | CHLORIDE ION, Epi-isozizaene synthase, MERCURY (II) ION, ... | 著者 | Aaron, J.A, Lin, X, Cane, D.E, Christianson, D.W. | 登録日 | 2009-10-20 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of Epi-Isozizaene Synthase from Streptomyces coelicolor A3(2), a Platform for New Terpenoid Cyclization Templates Biochemistry, 49, 2010
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3B7I
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![BU of 3b7i by Molmil](/molmil-images/mine/3b7i) | Crystal structure of the S228A mutant of the aminopeptidase from Vibrio proteolyticus in complex with leucine phosphonic acid | 分子名称: | Bacterial leucyl aminopeptidase, LEUCINE, LEUCINE PHOSPHONIC ACID, ... | 著者 | Ataie, N.J, Hoang, Q.Q, Zahniser, M.P.D, Milne, A, Petsko, G.A, Ringe, D. | 登録日 | 2007-10-30 | 公開日 | 2007-11-27 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Zinc coordination geometry and ligand binding affinity: the structural and kinetic analysis of the second-shell serine 228 residue and the methionine 180 residue of the aminopeptidase from Vibrio proteolyticus. Biochemistry, 47, 2008
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3I0X
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4IIC
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![BU of 4iic by Molmil](/molmil-images/mine/4iic) | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with isofagomine | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | 登録日 | 2012-12-20 | 公開日 | 2013-04-10 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus Biochem.J., 452, 2013
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3B3B
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![BU of 3b3b by Molmil](/molmil-images/mine/3b3b) | |