2Y2M
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![BU of 2y2m by Molmil](/molmil-images/mine/2y2m) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08) | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | 登録日 | 2010-12-15 | 公開日 | 2011-08-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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2Y00
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![BU of 2y00 by Molmil](/molmil-images/mine/2y00) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB92) | 分子名称: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | 著者 | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | 登録日 | 2010-11-30 | 公開日 | 2011-01-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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3ELF
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![BU of 3elf by Molmil](/molmil-images/mine/3elf) | Structural Characterization of tetrameric Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase - substrate binding and catalysis mechanism of a class IIa bacterial aldolase | 分子名称: | 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase, SODIUM ION, ... | 著者 | Pegan, S, Rukseree, K, Franzblau, S.G, Mesecar, A.D. | 登録日 | 2008-09-22 | 公開日 | 2009-02-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Structural basis for catalysis of a tetrameric class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis J.Mol.Biol., 386, 2009
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2XC5
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![BU of 2xc5 by Molmil](/molmil-images/mine/2xc5) | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | 分子名称: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Banner, D.W, Benz, J, Schlatter, D, Anselm, L, Haap, W. | 登録日 | 2010-04-16 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate. Bioorg.Med.Chem., 20, 2010
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2XVZ
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![BU of 2xvz by Molmil](/molmil-images/mine/2xvz) | Cobalt chelatase CbiK (periplasmatic) from Desulvobrio vulgaris Hildenborough (co-crystallized with cobalt) | 分子名称: | CHELATASE, PUTATIVE, CHLORIDE ION, ... | 著者 | Romao, C.V, Lobo, S.A.L, Carrondo, M.A, Saraiva, L.M, Matias, P.M. | 登録日 | 2010-10-28 | 公開日 | 2010-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evolution in a Family of Chelatases Facilitated by the Introduction of Active Site Asymmetry and Protein Oligomerization. Proc.Natl.Acad.Sci.USA, 108, 2011
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1VKG
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![BU of 1vkg by Molmil](/molmil-images/mine/1vkg) | Crystal Structure of Human HDAC8 complexed with CRA-19156 | 分子名称: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | 著者 | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | 登録日 | 2004-05-13 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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3GZ6
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![BU of 3gz6 by Molmil](/molmil-images/mine/3gz6) | |
3GYY
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3H42
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![BU of 3h42 by Molmil](/molmil-images/mine/3h42) | Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody | 分子名称: | Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ... | 著者 | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E. | 登録日 | 2009-04-17 | 公開日 | 2009-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates. Proc.Natl.Acad.Sci.USA, 106, 2009
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3H5B
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![BU of 3h5b by Molmil](/molmil-images/mine/3h5b) | Crystal structure of wild type HIV-1 protease with novel P1'-ligand GRL-02031 | 分子名称: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Tie, Y, Wang, Y.F, Weber, I.T. | 登録日 | 2009-04-21 | 公開日 | 2009-06-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies. J.Med.Chem., 52, 2009
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3HC9
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![BU of 3hc9 by Molmil](/molmil-images/mine/3hc9) | Ferric Horse Heart Myoglobin; H64V mutant | 分子名称: | Myoglobin, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Yi, J, Thomas, L.M, Richter-Addo, G.B. | 登録日 | 2009-05-05 | 公開日 | 2009-12-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The distal pocket histidine residue in horse heart myoglobin directs the o-binding mode of nitrite to the heme iron. J.Am.Chem.Soc., 131, 2009
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3GWO
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3H0U
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![BU of 3h0u by Molmil](/molmil-images/mine/3h0u) | Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis | 分子名称: | DIMETHYL SULFOXIDE, Putative enoyl-CoA hydratase, SODIUM ION | 著者 | Bonanno, J.B, Freeman, J, Bain, K.T, Miller, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2009-04-10 | 公開日 | 2009-04-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis To be Published
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3GSJ
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![BU of 3gsj by Molmil](/molmil-images/mine/3gsj) | A Bulky Rhodium Complex Bound to an Adenosine-Adenosine DNA Mismatch | 分子名称: | 5'-D(*CP*GP*GP*AP*AP*AP*TP*TP*AP*CP*CP*G)-3', CHLORIDE ION, SODIUM ION, ... | 著者 | Zeglis, B.M, Pierre, V.C, Kaiser, J.T, Barton, J.K. | 登録日 | 2009-03-27 | 公開日 | 2009-05-19 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A bulky rhodium complex bound to an adenosine-adenosine DNA mismatch: general architecture of the metalloinsertion binding mode Biochemistry, 48, 2009
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3GWQ
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258D
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![BU of 258d by Molmil](/molmil-images/mine/258d) | FACTORS AFFECTING SEQUENCE SELECTIVITY ON NOGALAMYCIN INTERCALATION: THE CRYSTAL STRUCTURE OF D(TGTACA)-NOGALAMYCIN | 分子名称: | ACETATE ION, DNA (5'-D(*TP*GP*TP*AP*CP*A)-3'), NOGALAMYCIN, ... | 著者 | Smith, C.K, Brannigan, J.A, Moore, M.H. | 登録日 | 1996-05-12 | 公開日 | 1996-06-20 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Factors affecting DNA sequence selectivity of nogalamycin intercalation: the crystal structure of d(TGTACA)2-nogalamycin2. J.Mol.Biol., 263, 1996
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2AA0
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![BU of 2aa0 by Molmil](/molmil-images/mine/2aa0) | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside | 分子名称: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, ACETATE ION, CHLORIDE ION, ... | 著者 | Zhang, Y, el Kouni, M.H, Ealick, S.E. | 登録日 | 2005-07-13 | 公開日 | 2006-07-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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3H8J
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1ZOR
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![BU of 1zor by Molmil](/molmil-images/mine/1zor) | Isocitrate dehydrogenase from the hyperthermophile Thermotoga maritima | 分子名称: | SODIUM ION, isocitrate dehydrogenase | 著者 | Karlstrom, M, Steen, I.H, Birkeland, N.-K, Ladenstein, R. | 登録日 | 2005-05-13 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | The crystal structure of a hyperthermostable subfamily II isocitrate dehydrogenase from Thermotoga maritima. Febs J., 273, 2006
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284D
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![BU of 284d by Molmil](/molmil-images/mine/284d) | THE BI-LOOP, A NEW GENERAL FOUR-STRANDED DNA MOTIF | 分子名称: | BARIUM ION, DNA (5'-CD(*P*AP*TP*TP*CP*AP*TP*TP*C)-3'), SODIUM ION | 著者 | Salisbury, S.A, Wilson, S.E, Powell, H.R, Kennard, O, Lubini, P, Sheldrick, G.M, Escaja, N, Alazzouzi, E, Grandas, A, Pedroso, E. | 登録日 | 1996-09-11 | 公開日 | 1997-06-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | The bi-loop, a new general four-stranded DNA motif. Proc.Natl.Acad.Sci.USA, 94, 1997
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2AB8
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![BU of 2ab8 by Molmil](/molmil-images/mine/2ab8) | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside and AMP-PCP | 分子名称: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Zhang, Y, el Kouni, M.H, Ealick, S.E. | 登録日 | 2005-07-14 | 公開日 | 2006-07-25 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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2AUU
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![BU of 2auu by Molmil](/molmil-images/mine/2auu) | Inorganic pyrophosphatase complexed with magnesium pyrophosphate and fluoride | 分子名称: | CHLORIDE ION, FLUORIDE ION, MAGNESIUM ION, ... | 著者 | Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D. | 登録日 | 2005-08-29 | 公開日 | 2006-08-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies J.Mol.Biol., 366, 2007
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8EHE
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8OT5
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![BU of 8ot5 by Molmil](/molmil-images/mine/8ot5) | Crystal structure of the titin domain Fn3-85 | 分子名称: | CHLORIDE ION, SODIUM ION, Titin | 著者 | Nikoopour, R, Rees, M, Gautel, M. | 登録日 | 2023-04-20 | 公開日 | 2023-08-23 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation. J.Struct.Biol., 215, 2023
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8OTM
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![BU of 8otm by Molmil](/molmil-images/mine/8otm) | structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... | 著者 | Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. | 登録日 | 2023-04-21 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
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