6D4U
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![BU of 6d4u by Molmil](/molmil-images/mine/6d4u) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 27 (VCC663664) | 分子名称: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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1M3U
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![BU of 1m3u by Molmil](/molmil-images/mine/1m3u) | Crystal Structure of Ketopantoate Hydroxymethyltransferase complexed the Product Ketopantoate | 分子名称: | 3-methyl-2-oxobutanoate hydroxymethyltransferase, KETOPANTOATE, MAGNESIUM ION | 著者 | von Delft, F, Inoue, T, Saldanha, S.A, Ottenhof, H.H, Dhanaraj, V, Witty, M, Abell, C, Smith, A.G, Blundell, T.L. | 登録日 | 2002-06-30 | 公開日 | 2003-07-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites. Structure, 11, 2003
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3N7A
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![BU of 3n7a by Molmil](/molmil-images/mine/3n7a) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 2 | 分子名称: | 2,3 -ANHYDRO-QUINIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | 著者 | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | 登録日 | 2010-05-26 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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6D4W
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![BU of 6d4w by Molmil](/molmil-images/mine/6d4w) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637) | 分子名称: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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6D4T
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![BU of 6d4t by Molmil](/molmil-images/mine/6d4t) | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054) | 分子名称: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | 著者 | Ascher, D.B, Pacitto, A, Blundell, T.L. | 登録日 | 2018-04-18 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH. Eur.J.Med.Chem., 174, 2019
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1EPP
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![BU of 1epp by Molmil](/molmil-images/mine/1epp) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA) | 分子名称: | ENDOTHIAPEPSIN, N-(dimethylsulfamoyl)-L-phenylalanyl-N-[(1S,2S)-2-hydroxy-4-{[(2S)-2-methylbutyl]amino}-1-(2-methylpropyl)-4-oxobutyl]-N~6~-(methylcarbamothioyl)-L-lysinamide, SULFATE ION | 著者 | Wallace, B.A, Cooper, J.B, Blundell, T.L. | 登録日 | 1994-07-27 | 公開日 | 1994-12-20 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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6ERD
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![BU of 6erd by Molmil](/molmil-images/mine/6erd) | Crystal structure of a putative acetyltransferase from Bacillus cereus species. | 分子名称: | Aminoglycoside N6'-acetyltransferase, CHLORIDE ION, GLYCEROL | 著者 | Silvestre, H.L, Bolanos-Garcia, V.M, Asensio, J.L, Blundell, T.L, Bastida, A. | 登録日 | 2017-10-18 | 公開日 | 2018-09-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Functional and structural characterisation of RimL from Bacillus cereus, a new N alpha-acetyltransferase of ribosomal proteins that was wrongly assigned as an aminoglycosyltransferase. Int.J.Biol.Macromol., 263, 2024
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1EPQ
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![BU of 1epq by Molmil](/molmil-images/mine/1epq) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-133,450 (SOT PHE GLY+SCC GCL) | 分子名称: | ENDOTHIAPEPSIN, N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide, SULFATE ION | 著者 | Dealwis, C, Cooper, J.B, Blundell, T.L. | 登録日 | 1994-07-27 | 公開日 | 1994-12-20 | 最終更新日 | 2020-05-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J.Med.Chem., 36, 1993
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4B34
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![BU of 4b34 by Molmil](/molmil-images/mine/4b34) | Humanised monomeric RadA in complex with 2-amino benzothiazole | 分子名称: | 1,3-benzothiazol-2-amine, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-20 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B33
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![BU of 4b33 by Molmil](/molmil-images/mine/4b33) | Humanised monomeric RadA in complex with napht-2-ol | 分子名称: | 1-NAPHTHOL, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-20 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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3W1B
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4B2L
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![BU of 4b2l by Molmil](/molmil-images/mine/4b2l) | Humanised monomeric RadA in complex with L-methylester tryptophan | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl L-tryptophanate | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-16 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B2I
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![BU of 4b2i by Molmil](/molmil-images/mine/4b2i) | Humanised monomeric RadA in complex with indazole | 分子名称: | 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-16 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B35
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![BU of 4b35 by Molmil](/molmil-images/mine/4b35) | Humanised monomeric RadA in complex with 4-methylester indole | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION, methyl 1H-indole-4-carboxylate | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-20 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B3D
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![BU of 4b3d by Molmil](/molmil-images/mine/4b3d) | Humanised monomeric RadA in complex with 5-methyl indole | 分子名称: | 5-METHYL INDOLE, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-23 | 公開日 | 2013-02-06 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.589 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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4B3B
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![BU of 4b3b by Molmil](/molmil-images/mine/4b3b) | Humanised monomeric RadA in complex with FHTA tetrapeptide | 分子名称: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTA TETRAPEPTIDE, PHOSPHATE ION | 著者 | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | 登録日 | 2012-07-23 | 公開日 | 2013-02-27 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Using a Fragment-Based Approach to Target Protein-Protein Interactions. Chembiochem, 14, 2013
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3PHV
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![BU of 3phv by Molmil](/molmil-images/mine/3phv) | X-RAY ANALYSIS OF HIV-1 PROTEINASE AT 2.7 ANGSTROMS RESOLUTION CONFIRMS STRUCTURAL HOMOLOGY AMONG RETROVIRAL ENZYMES | 分子名称: | UNLIGANDED HIV-1 PROTEASE | 著者 | Lapatto, R, Blundell, T.L, Hemmings, A, Wilderspin, A, Wood, S.P, Danley, D.E, Geoghegan, K.F, Hawrylik, S.J, Hobart, P.M. | 登録日 | 1991-11-04 | 公開日 | 1992-01-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | X-ray analysis of HIV-1 proteinase at 2.7 A resolution confirms structural homology among retroviral enzymes. Nature, 342, 1989
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1KS9
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![BU of 1ks9 by Molmil](/molmil-images/mine/1ks9) | Ketopantoate Reductase from Escherichia coli | 分子名称: | 2-DEHYDROPANTOATE 2-REDUCTASE | 著者 | Matak-Vinkovic, D, Vinkovic, M, Saldanha, S.A, Ashurst, J.A, von Delft, F, Inoue, T, Miguel, R.N, Smith, A.G, Blundell, T.L, Abell, C. | 登録日 | 2002-01-11 | 公開日 | 2002-01-25 | 最終更新日 | 2014-11-12 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism. Biochemistry, 40, 2001
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4ZY8
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3N87
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![BU of 3n87 by Molmil](/molmil-images/mine/3n87) | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 3 | 分子名称: | (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | 著者 | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | 登録日 | 2010-05-27 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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6G6V
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3N59
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![BU of 3n59 by Molmil](/molmil-images/mine/3n59) | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | 分子名称: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | 登録日 | 2010-05-24 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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4KIU
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![BU of 4kiu by Molmil](/molmil-images/mine/4kiu) | Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] | 分子名称: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid | 著者 | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | 登録日 | 2013-05-02 | 公開日 | 2014-05-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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3E4R
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![BU of 3e4r by Molmil](/molmil-images/mine/3e4r) | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nitrate transport protein | 著者 | Balan, A, Araujo, F.T, Sanches, M, Chirgadze, D.Y, Blundell, T.B, Barbosa, J.A.R.G. | 登録日 | 2008-08-12 | 公開日 | 2008-09-23 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal structure of the alkanesulfonate binding protein (SsuA) from the phytopathogenic bacteria Xanthomonas axonopodis pv. citri bound to HEPES To be Published
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4GCR
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![BU of 4gcr by Molmil](/molmil-images/mine/4gcr) | STRUCTURE OF THE BOVINE EYE LENS PROTEIN GAMMA-B (GAMMA-II)-CRYSTALLIN AT 1.47 ANGSTROMS | 分子名称: | GAMMA-B CRYSTALLIN | 著者 | Slingsby, C, Najmudin, S, Nalini, V, Driessen, H.P.C, Blundell, T.L, Moss, D.S, Lindley, P. | 登録日 | 1992-04-02 | 公開日 | 1993-10-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structure of the bovine eye lens protein gammaB(gammaII)-crystallin at 1.47 A. Acta Crystallogr.,Sect.D, 49, 1993
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