2X0E
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![BU of 2x0e by Molmil](/molmil-images/mine/2x0e) | Complex structure of WsaF with dTDP | 分子名称: | GLYCEROL, THYMIDINE-5'-DIPHOSPHATE, WSAF | 著者 | Steiner, K, Hagelueken, G, Naismith, J.H. | 登録日 | 2009-12-08 | 公開日 | 2010-02-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Structural Basis of Substrate Binding in Wsaf, a Rhamnosyltransferase from Geobacillus Stearothermophilus. J.Mol.Biol., 397, 2010
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3M1P
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3MSF
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![BU of 3msf by Molmil](/molmil-images/mine/3msf) | Crystal structure of Thermolysin in complex with Urea | 分子名称: | CALCIUM ION, GLYCEROL, Thermolysin, ... | 著者 | Behnen, J, Heine, A, Klebe, G. | 登録日 | 2010-04-29 | 公開日 | 2011-05-11 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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3M2N
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![BU of 3m2n by Molmil](/molmil-images/mine/3m2n) | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | 分子名称: | 4-{2-[(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Grazulis, S, Manakova, E, Golovenko, D. | 登録日 | 2010-03-08 | 公開日 | 2011-02-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
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3HRB
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![BU of 3hrb by Molmil](/molmil-images/mine/3hrb) | p38 kinase Crystal structure in complex with small molecule inhibitor | 分子名称: | Mitogen-activated protein kinase 14, [3-amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone | 著者 | Segarra, V, Lumeras, W, Vidal, B, Leonard, P, Fisher, M, Lamers, M. | 登録日 | 2009-06-09 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase J.Med.Chem., 52, 2009
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3P1N
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![BU of 3p1n by Molmil](/molmil-images/mine/3p1n) | Crystal structure of human 14-3-3 sigma in complex with TASK-3 peptide | 分子名称: | 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ... | 著者 | Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C. | 登録日 | 2010-09-30 | 公開日 | 2011-10-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface Chem. Biol., 20, 2013
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3KXG
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![BU of 3kxg by Molmil](/molmil-images/mine/3kxg) | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64) | 分子名称: | 3,4,5,6,7-pentabromo-1H-indazole, Casein kinase II subunit alpha | 著者 | Papinutto, E, Franchin, C, Battistutta, R. | 登録日 | 2009-12-03 | 公開日 | 2010-11-17 | 最終更新日 | 2017-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
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3OOE
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![BU of 3ooe by Molmil](/molmil-images/mine/3ooe) | Crystal structure of E. Coli purine nucleoside phosphorylase with PO4 | 分子名称: | PHOSPHATE ION, Purine nucleoside phosphorylase deoD-type | 著者 | Mikleusevic, G, Stefanic, Z, Narzyk, M, Wielgus-Kutrowska, B, Bzowska, A, Luic, M. | 登録日 | 2010-08-31 | 公開日 | 2011-07-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Validation of the catalytic mechanism of Escherichia coli purine nucleoside phosphorylase by structural and kinetic studies. Biochimie, 93, 2011
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3OQ6
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![BU of 3oq6 by Molmil](/molmil-images/mine/3oq6) | Horse liver alcohol dehydrogenase A317C mutant complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | 著者 | Plapp, B.V, Herdendorf, T.J. | 登録日 | 2010-09-02 | 公開日 | 2010-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Origins of the high catalytic activity of human alcohol dehydrogenase 4 studied with horse liver A317C alcohol dehydrogenase. Chem.Biol.Interact, 191, 2011
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3LO2
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2VFW
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![BU of 2vfw by Molmil](/molmil-images/mine/2vfw) | Rv1086 native | 分子名称: | SHORT-CHAIN Z-ISOPRENYL DIPHOSPHATE SYNTHETASE, SULFATE ION | 著者 | Naismith, J.H, Wang, W, Dong, C. | 登録日 | 2007-11-05 | 公開日 | 2007-11-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The structural basis of chain length control in Rv1086. J. Mol. Biol., 381, 2008
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2W9L
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![BU of 2w9l by Molmil](/molmil-images/mine/2w9l) | CANINE ADENOVIRUS TYPE 2 FIBRE HEAD IN COMPLEX WITH CAR DOMAIN D1 AND SIALIC ACID | 分子名称: | COXSACKIEVIRUS AND ADENOVIRUS RECEPTOR, FIBRE PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ... | 著者 | Seiradake, E, Henaff, D, Wodrich, H, Billet, O, Perreau, M, Hippert, C, Mennechet, F, Schoehn, G, Lortat-Jacob, H, Dreja, H, Ibanes, S, Kalatzis, V, Wang, J.P, Finberg, R.W, Cusack, S, Kremer, E.J. | 登録日 | 2009-01-26 | 公開日 | 2009-03-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | The cell adhesion molecule "CAR" and sialic acid on human erythrocytes influence adenovirus in vivo biodistribution. PLoS Pathog., 5, 2009
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3NN7
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![BU of 3nn7 by Molmil](/molmil-images/mine/3nn7) | Crystal structure of Thermolysin in complex with 2-bromoacetate | 分子名称: | CALCIUM ION, Thermolysin, ZINC ION, ... | 著者 | Behnen, J, Heine, A, Klebe, G. | 登録日 | 2010-06-23 | 公開日 | 2011-05-25 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
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3N52
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3NE4
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2X2M
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![BU of 2x2m by Molmil](/molmil-images/mine/2x2m) | Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor | 分子名称: | (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | 著者 | Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q. | 登録日 | 2010-01-13 | 公開日 | 2010-02-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors. Bioorg. Med. Chem., 18, 2010
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2WM5
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![BU of 2wm5 by Molmil](/molmil-images/mine/2wm5) | X-ray structure of the substrate-free Mycobacterium tuberculosis cytochrome P450 CYP124 | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 124 | 著者 | Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R. | 登録日 | 2009-06-30 | 公開日 | 2009-10-06 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis. Proc. Natl. Acad. Sci. U.S.A., 106, 2009
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3N9R
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![BU of 3n9r by Molmil](/molmil-images/mine/3n9r) | Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor | 分子名称: | 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate, CHLORIDE ION, Fructose-bisphosphate aldolase, ... | 著者 | Coincon, M, Sygusch, S. | 登録日 | 2010-05-31 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases. J.Med.Chem., 53, 2010
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3O5C
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![BU of 3o5c by Molmil](/molmil-images/mine/3o5c) | Cytochrome c Peroxidase BccP of Shewanella oneidensis | 分子名称: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, Cytochrome c551 peroxidase, ... | 著者 | Seidel, J, Einsle, O. | 登録日 | 2010-07-28 | 公開日 | 2011-08-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Investigation of the Electron Transport Chain to and the Catalytic Activity of the Diheme Cytochrome c Peroxidase CcpA of Shewanella oneidensis. Appl.Environ.Microbiol., 77, 2011
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2XAB
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![BU of 2xab by Molmil](/molmil-images/mine/2xab) | Structure of HSP90 with an inhibitor bound | 分子名称: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-03-30 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2WUU
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![BU of 2wuu by Molmil](/molmil-images/mine/2wuu) | Structure of N-myristoyltransferase from L. donovani | 分子名称: | 2-oxopentadecyl-CoA, N-MYRISTOYLTRANSFERASE | 著者 | Brannigan, J.A, Smith, B.A, Yu, Z, Hodgkinson, M.R, Leatherbarrow, R.J, Tate, E.W, Brzozowski, A.M, Smith, D.F, Wilkinson, A.J. | 登録日 | 2009-10-09 | 公開日 | 2009-12-01 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | N-Myristoyltransferase from Leishmania Donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis. J.Mol.Biol., 396, 2010
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3O6R
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![BU of 3o6r by Molmil](/molmil-images/mine/3o6r) | Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | 分子名称: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ... | 著者 | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | 登録日 | 2010-07-29 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
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3L94
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![BU of 3l94 by Molmil](/molmil-images/mine/3l94) | Structure of PvdQ covalently acylated with myristate | 分子名称: | 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase pvdQ subunit alpha, Acyl-homoserine lactone acylase pvdQ subunit beta, ... | 著者 | Drake, E.J, Gulick, A.M. | 登録日 | 2010-01-04 | 公開日 | 2011-01-26 | 最終更新日 | 2013-04-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural characterization and high-throughput screening of inhibitors of PvdQ, an NTN hydrolase involved in pyoverdine synthesis. Acs Chem.Biol., 6, 2011
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2WYN
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![BU of 2wyn by Molmil](/molmil-images/mine/2wyn) | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | 分子名称: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | 著者 | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | 登録日 | 2009-11-17 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem.Commun.(Camb.), 46, 2010
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2XEP
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![BU of 2xep by Molmil](/molmil-images/mine/2xep) | Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway | 分子名称: | CHLORIDE ION, GLYCEROL, ORF12 | 著者 | Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J. | 登録日 | 2010-05-17 | 公開日 | 2011-06-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and mechanistic studies of the orf12 gene product from the clavulanic acid biosynthesis pathway. Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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