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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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