1XEO
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![BU of 1xeo by Molmil](/molmil-images/mine/1xeo) | High Resolution Crystals Structure of Cobalt- Peptide Deformylase Bound To Formate | 分子名称: | COBALT (II) ION, FORMIC ACID, Peptide deformylase | 著者 | Jain, R, Hao, B, Liu, R.-P, Chan, M.K. | 登録日 | 2004-09-10 | 公開日 | 2005-03-29 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structures of E. coli peptide deformylase bound to formate: insight into the preference for Fe2+ over Zn2+ as the active site metal J.Am.Chem.Soc., 127, 2005
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4DBC
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![BU of 4dbc by Molmil](/molmil-images/mine/4dbc) | Substrate Activation in Aspartate Aminotransferase | 分子名称: | (E)-N-{2-hydroxy-3-methyl-6-[(phosphonooxy)methyl]benzylidene}-L-aspartic acid, 1,2-ETHANEDIOL, Aspartate aminotransferase, ... | 著者 | Toney, M.D, Fisher, A.J, Griswold, W.R. | 登録日 | 2012-01-14 | 公開日 | 2012-12-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Ground-state electronic destabilization via hyperconjugation in aspartate aminotransferase. J.Am.Chem.Soc., 134, 2012
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5MGI
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![BU of 5mgi by Molmil](/molmil-images/mine/5mgi) | Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor. | 分子名称: | (~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Carbapenem-hydrolyzing beta-lactamase KPC | 著者 | Vicario, M, Celenza, G, Bellio, P, Perilli, M.G, Tondi, D, Cendron, L. | 登録日 | 2016-11-21 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Phenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance. Chemmedchem, 13, 2018
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3PC4
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3PKE
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![BU of 3pke by Molmil](/molmil-images/mine/3pke) | M. tuberculosis MetAP with bengamide analog Y10, in Ni form | 分子名称: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, Methionine aminopeptidase, ... | 著者 | Ye, Q.Z, Lu, J.P. | 登録日 | 2010-11-11 | 公開日 | 2011-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives. Chemmedchem, 6, 2011
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3PKB
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![BU of 3pkb by Molmil](/molmil-images/mine/3pkb) | M. tuberculosis MetAP with bengamide analog Y16, in Mn form | 分子名称: | (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Ye, Q.Z, Lu, J.P. | 登録日 | 2010-11-11 | 公開日 | 2011-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives. Chemmedchem, 6, 2011
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3EI9
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![BU of 3ei9 by Molmil](/molmil-images/mine/3ei9) | Crystal structure of K270N variant of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with L-Glu: External aldimine form | 分子名称: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, GLYCEROL, LL-diaminopimelate aminotransferase, ... | 著者 | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | 登録日 | 2008-09-15 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana. J.Mol.Biol., 384, 2008
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3EIA
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![BU of 3eia by Molmil](/molmil-images/mine/3eia) | Crystal structure of K270Q variant of LL-diaminopimelate aminotransferase from Arabidopsis thaliana complexed with L-Glu: External aldimine form | 分子名称: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, LL-diaminopimelate aminotransferase, SULFATE ION | 著者 | Watanabe, N, Clay, M.D, van Belkum, M.J, Cherney, M.M, Vederas, J.C, James, M.N.G. | 登録日 | 2008-09-15 | 公開日 | 2008-10-14 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Mechanism of substrate recognition and PLP-induced conformational changes in LL-diaminopimelate aminotransferase from Arabidopsis thaliana. J.Mol.Biol., 384, 2008
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1JBK
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2XJ0
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![BU of 2xj0 by Molmil](/molmil-images/mine/2xj0) | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | 分子名称: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XIZ
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![BU of 2xiz by Molmil](/molmil-images/mine/2xiz) | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | 分子名称: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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3PKD
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![BU of 3pkd by Molmil](/molmil-images/mine/3pkd) | M. tuberculosis MetAP with bengamide analog Y10, in Mn form | 分子名称: | (E,2R,3R,4S,5R)-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase | 著者 | Ye, Q.Z, Lu, J.P. | 登録日 | 2010-11-11 | 公開日 | 2011-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives. Chemmedchem, 6, 2011
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6SQ5
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![BU of 6sq5 by Molmil](/molmil-images/mine/6sq5) | Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid | 分子名称: | (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | 登録日 | 2019-09-03 | 公開日 | 2020-04-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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3PKC
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![BU of 3pkc by Molmil](/molmil-images/mine/3pkc) | M. tuberculosis MetAP 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 | 著者 | Ye, Q.Z, Lu, J.P. | 登録日 | 2010-11-11 | 公開日 | 2011-04-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Inhibition of Mycobacterium tuberculosis Methionine Aminopeptidases by Bengamide Derivatives. Chemmedchem, 6, 2011
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5FNM
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![BU of 5fnm by Molmil](/molmil-images/mine/5fnm) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | (~{E})-3-(4-methoxyphenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, ZINC ION | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | 登録日 | 2015-11-15 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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6A39
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![BU of 6a39 by Molmil](/molmil-images/mine/6a39) | The crystal structure of Mandelate oxidase Y128F with C4a-Malic acid-monooxide-FMN adduct | 分子名称: | (~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid, 4-hydroxymandelate oxidase | 著者 | Li, T.L, Lin, K.H. | 登録日 | 2018-06-15 | 公開日 | 2019-06-19 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | The crystal structure of Mandelate oxidase mutant Y128F with C4a-Malic acid-monooxide-FMN adduct To Be Published
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4V5C
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![BU of 4v5c by Molmil](/molmil-images/mine/4v5c) | Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA. | 分子名称: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | 著者 | Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V. | 登録日 | 2009-03-24 | 公開日 | 2014-07-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome Nat.Struct.Mol.Biol., 16, 2009
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4W78
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![BU of 4w78 by Molmil](/molmil-images/mine/4w78) | Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis | 分子名称: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | 著者 | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | 登録日 | 2014-08-21 | 公開日 | 2014-10-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | 主引用文献 | A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis. Acs Chem.Biol., 9, 2014
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4V81
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![BU of 4v81 by Molmil](/molmil-images/mine/4v81) | The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, SULFATE ION, ... | 著者 | Dekker, C, Roe, S.M, McCormack, E.A, Beuron, F, Pearl, L.H, Willison, K.R. | 登録日 | 2010-10-17 | 公開日 | 2014-07-09 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins. Embo J., 30, 2011
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4V1O
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![BU of 4v1o by Molmil](/molmil-images/mine/4v1o) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | 分子名称: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | 著者 | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | 登録日 | 2014-09-29 | 公開日 | 2015-02-04 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (9.7 Å) | 主引用文献 | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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4W7P
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![BU of 4w7p by Molmil](/molmil-images/mine/4w7p) | Crystal Structure of ROCK 1 bound to YB-15-QD37 | 分子名称: | N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1 | 著者 | Sprague, E.R. | 登録日 | 2014-08-22 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg.Med.Chem.Lett., 24, 2014
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4V0O
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4UQO
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![BU of 4uqo by Molmil](/molmil-images/mine/4uqo) | RADA C-TERMINAL ATPASE DOMAIN FROM PYROCOCCUS FURIOSUS BOUND TO ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, MAGNESIUM ION, ... | 著者 | Marsh, M.E, Ehebauer, M.T, Scott, D, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2014-06-24 | 公開日 | 2015-01-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | ATP Half-Sites in Rada and Rad51 Recombinases Bind Nucleotides FEBS Open Bio, 6, 2016
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4URH
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![BU of 4urh by Molmil](/molmil-images/mine/4urh) | High-resolution structure of partially oxidized D. fructosovorans NiFe-hydrogenase | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | 著者 | Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C. | 登録日 | 2014-06-30 | 公開日 | 2014-10-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Crystallographic studies of [NiFe]-hydrogenase mutants: towards consensus structures for the elusive unready oxidized states. J. Biol. Inorg. Chem., 20, 2015
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4UZJ
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![BU of 4uzj by Molmil](/molmil-images/mine/4uzj) | |