3KO7
 
 | |
2XJG
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, 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, B, 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 (2.25 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
|
|
3LN0
 | | Structure of compound 5c-S bound at the active site of COX-2 | | 分子名称: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | 登録日 | 2010-02-01 | | 公開日 | 2010-10-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3LMC
 | | Crystal Structure of zinc-dependent peptidase from Methanocorpusculum labreanum (strain Z), Northeast Structural Genomics Consortium Target MuR16 | | 分子名称: | FE (III) ION, Peptidase, zinc-dependent, ... | | 著者 | Kuzin, A, Ashok, S, Vorobiev, S, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2010-01-29 | | 公開日 | 2010-02-16 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Northeast Structural Genomics Consortium Target MuR16
To be published
|
|
3LOE
 | |
3LO1
 | |
3LPL
 | | E. coli pyruvate dehydrogenase complex E1 component E571A mutant | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Furey, W. | | 登録日 | 2010-02-05 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
|
|
2XJX
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | | 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 (1.66 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
|
|
3GK7
 | | Crystal structure of 4-hydroxybutyrate CoA-Transferase from Clostridium aminobutyricum | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Hydroxybutyrate CoA-transferase, SPERMIDINE | | 著者 | Messerschmidt, A, Macieira, S, Velarde, M. | | 登録日 | 2009-03-10 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structure of 4-hydroxybutyrate CoA-transferase from Clostridium aminobutyricum
Biol.Chem., 390, 2009
|
|
3GVV
 | | Single-chain UROD Y164G (GY) mutation | | 分子名称: | Uroporphyrinogen decarboxylase | | 著者 | Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P. | | 登録日 | 2009-03-31 | | 公開日 | 2009-07-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
|
|
3LO6
 | |
3GT9
 | | Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | | 分子名称: | Baculoviral IAP repeat-containing 7, N-{(1S)-1-cyclohexyl-2-[(2S)-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl}-N~2~-methyl-L-alaninamide, ZINC ION | | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | | 登録日 | 2009-03-27 | | 公開日 | 2010-03-09 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
|
|
3LQ2
 | | E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Furey, W. | | 登録日 | 2010-02-08 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
|
|
3LO4
 | |
3GMW
 | | Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase | | 分子名称: | B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION | | 著者 | Lim, D.C, Gretes, M, Strynadka, N.C.J. | | 登録日 | 2009-03-15 | | 公開日 | 2009-03-31 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
|
|
2Y74
 | | THE CRYSTAL STRUCTURE OF HUMAN SOLUBLE PRIMARY AMINE OXIDASE AOC3 IN THE OFF-COPPER CONFORMATION | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Elovaara, H, Kidron, H, Parkash, V, Nymalm, Y, Bligt, E, Ollikka, P, Smith, D.J, Pihlavisto, M, Salmi, M, Jalkanen, S, Salminen, T.A. | | 登録日 | 2011-01-28 | | 公開日 | 2011-06-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Identification of Two Imidazole Binding Sites and Key Residues for Substrate Specificity in Human Primary Amine Oxidase Aoc3.
Biochemistry, 50, 2011
|
|
3GUS
 | | Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol, GLUTATHIONE, ... | | 著者 | Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M. | | 登録日 | 2009-03-30 | | 公開日 | 2009-10-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
|
|
3GV9
 | |
3LPA
 | | Crystal structure of a subtilisin-like protease | | 分子名称: | Acidic extracellular subtilisin-like protease AprV2, 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 (2 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
|
|
3LO8
 | |
3L91
 | | Structure of Pseudomonas aerugionsa PvdQ bound to octanoate | | 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 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.66 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
|
|
3GVB
 | |
3GVW
 | | Single-chain UROD F217Y (YF) mutation | | 分子名称: | Uroporphyrinogen decarboxylase | | 著者 | Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P. | | 登録日 | 2009-03-31 | | 公開日 | 2009-12-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
|
|
3H9D
 | | Crystal Structure of Trypanosoma brucei ATG8 | | 分子名称: | CALCIUM ION, Microtubule-associated protein 1A/1B, light chain 3, ... | | 著者 | Koopmann, R, Muhammad, K, Perbandt, M, Betzel, C, Duszenko, M. | | 登録日 | 2009-04-30 | | 公開日 | 2009-10-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Trypanosoma brucei ATG8: structural insights into autophagic-like mechanisms in protozoa.
Autophagy, 5, 2009
|
|
3DKF
 | | Structure of MET receptor tyrosine kinase in complex with inhibitor SGX-523 | | 分子名称: | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline, CHLORIDE ION, Hepatocyte growth factor receptor | | 著者 | Hendle, J. | | 登録日 | 2008-06-24 | | 公開日 | 2009-07-07 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo.
Mol.Cancer Ther., 8, 2009
|
|
