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2XH9
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Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-06-09
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 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
2XGN
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Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: 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2010-06-07
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 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
2XJJ
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Structure of HSP90 with small molecule inhibitor bound
分子名称: 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, 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, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-07-06
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
3LNX
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Second PDZ domain from human PTP1E
分子名称: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
著者Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2010-02-03
公開日2010-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010
2XF3
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Structural and mechanistic studies on a cephalosporin esterase from the clavulanic acid biosynthesis pathway
分子名称: (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, ORF12
著者Iqbal, A, Valegard, K, Kershaw, N.J, Ivison, D, Genereux, C, Dubus, A, Andersson, I, Schofield, C.J.
登録日2010-05-20
公開日2011-06-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 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
3HGB
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Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis
分子名称: Glycine cleavage system H protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-05-13
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
3MSN
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Crystal structure of Thermolysin in complex with N-methylurea
分子名称: CALCIUM ION, GLYCEROL, N-METHYLUREA, ...
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 (1.97 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3HKY
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HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6
分子名称: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ...
著者Nyanguile, O, De Bondt, H.L.
登録日2009-05-26
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
3I2M
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The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi s Sarcoma-Associated Herpesvirus
分子名称: ORF59
著者Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
登録日2009-06-29
公開日2010-05-12
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
2XYL
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CELLULOMONAS FIMI XYLANASE/CELLULASE COMPLEXED WITH 2-DEOXY-2-FLUORO-XYLOBIOSE
分子名称: BETA-1,4-GLYCANASE, beta-D-xylopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-xylopyranose
著者Monem, V, Birsan, C, Warren, R.A.J, Withers, S.G, Rose, D.R.
登録日1997-11-20
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the cellulose/xylan specificity of the beta-1,4-glycanase cex from Cellulomonas fimi through crystallography and mutation.
Biochemistry, 37, 1998
3HSL
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BU of 3hsl by Molmil
The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus
分子名称: ORF59
著者Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
登録日2009-06-10
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
2XSA
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OgOGA apostructure
分子名称: CHLORIDE ION, HYALURONOGLUCOSAMINIDASE
著者Schuttelkopf, A.W, van Aalten, D.M.F.
登録日2010-09-27
公開日2011-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
2XRA
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crystal structure of the HK20 Fab in complex with a gp41 mimetic 5- Helix
分子名称: HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN, ...
著者Sabin, C, Corti, D, Buzon, V, Seaman, M.S, Lutje Hulsik, D, Hinz, A, Vanzetta, F, Agatic, G, Silacci, C, Langedijk, J.P.M, Mainetti, L, Scarlatti, G, Sallusto, F, Weiss, R, Lanzavecchia, A, Weissenhorn, W.
登録日2010-09-13
公開日2010-12-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure and size-dependent neutralization properties of HK20, a human monoclonal antibody binding to the highly conserved heptad repeat 1 of gp41.
PLoS Pathog., 6, 2010
2W6F
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Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 2.
分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2VRN
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BU of 2vrn by Molmil
The structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily
分子名称: MAGNESIUM ION, PROTEASE I
著者Fioravanti, E, Dura, M.A, Lascoux, D, Micossi, E, McSweeney, S.
登録日2008-04-09
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily.
Biochemistry, 47, 2008
3PD6
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BU of 3pd6 by Molmil
Crystal structure of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV
分子名称: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ...
著者Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
登録日2010-10-22
公開日2010-11-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV.
Biosci.Rep., 31, 2011
3PCZ
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Endothiapepsin in complex with benzamidine
分子名称: BENZAMIDINE, DIMETHYL SULFOXIDE, Endothiapepsin
著者Koester, H, Heine, A, Klebe, G.
登録日2010-10-22
公開日2011-10-19
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3PDB
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Crystal structure of mouse mitochondrial aspartate aminotransferase in complex with oxaloacetic acid
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, mitochondrial, ...
著者Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
登録日2010-10-22
公開日2010-11-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV.
Biosci.Rep., 31, 2011
2VUK
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BU of 2vuk by Molmil
Structure of the p53 core domain mutant Y220C bound to the stabilizing small-molecule drug PhiKan083
分子名称: 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ZINC ION
著者Joerger, A.C, Boeckler, F.M, Fersht, A.R.
登録日2008-05-26
公開日2008-07-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Targeted Rescue of a Destabilized Mutant of P53 by an in Silico Screened Drug.
Proc.Natl.Acad.Sci.USA, 105, 2008
2W6I
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BU of 2w6i by Molmil
Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: Hydration State 4B.
分子名称: ATP SYNTHASE SUBUNIT ALPHA HEART ISOFORM, MITOCHONDRIAL, ATP SYNTHASE SUBUNIT BETA, ...
著者Sanchez-Weatherby, J, Felisaz, F, Gobbo, A, Huet, J, Ravelli, R.B.G, Bowler, M.W, Cipriani, F.
登録日2008-12-18
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Improving diffraction by humidity control: a novel device compatible with X-ray beamlines.
Acta Crystallogr. D Biol. Crystallogr., 65, 2009
2W3Q
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Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans
分子名称: CARBONIC ANHYDRASE 2, CHLORIDE ION, ZINC ION
著者Schlicker, C, Hall, R.A, Vullo, D, Middelhaufe, S, Gertz, M, Supuran, C.T, Muehlschlegel, F.A, Steegborn, C.
登録日2008-11-14
公開日2008-12-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structure and Inhibition of the Co(2)-Sensing Carbonic Anhydrase Can2 from the Pathogenic Fungus Cryptococcus Neoformans.
J.Mol.Biol., 385, 2009
3LPC
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Crystal structure of a subtilisin-like protease
分子名称: ACETATE ION, AprB2, CALCIUM ION, ...
著者Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M.
登録日2010-02-05
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
2WRZ
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Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state
分子名称: L-ARABINOSE-BINDING PERIPLASMIC PROTEIN
著者Schreier, B, Stumpp, C, Wiesner, S, Hocker, B.
登録日2009-09-03
公開日2009-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Computational Design of Ligand Binding is not a Solved Problem
Proc.Natl.Acad.Sci.USA, 106, 2009
2X2L
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Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)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 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
3KM6
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Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate
分子名称: CALCIUM ION, ETHACRYNIC ACID, GLUTATHIONE, ...
著者Parker, L.J.
登録日2009-11-10
公開日2010-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Diuretic drug binding to human glutathione transferase P1-1: potential role of Cys-101 revealed in the double mutant C47S/Y108V.
J.Mol.Recognit., 24

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