PDB: 187781 件ウェブページステータス検索Chemie searchBIRD

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6ID4	Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Lescar, J, Wong, Y.H, Liew, C.W, Gu, Y, MacAry, P.A. 登録日 2018-09-08 公開日 2019-02-06 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01. Nat Commun, 10, 2019
3AAU	Bovine beta-trypsin bound to meta-diguanidino schiff base copper (II) chelate 分子名称: CALCIUM ION, COPPER (II) ION, Cationic trypsin, ... 著者 Iyaguchi, D, Kawano, S, Toyota, E. 登録日 2009-11-26 公開日 2010-04-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin Bioorg.Med.Chem., 18, 2010
1Y7A	Structure of D153H/K328W E. coli alkaline phosphatase in presence of cobalt at 1.77 A resolution 分子名称: Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... 著者 Wang, J, Stieglitz, K, Kantrowitz, E.R. 登録日 2004-12-08 公開日 2005-06-21 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,). Biochemistry, 44, 2005
3ZT4	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: 1,2-ETHANEDIOL, 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... 著者 Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design Plos One, 7, 2012
1QZY	Human Methionine Aminopeptidase in complex with bengamide inhibitor LAF153 and cobalt 分子名称: (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE, COBALT (II) ION, Methionine aminopeptidase 2, ... 著者 Eck, M.J, Song, H.K, Morollo, A. 登録日 2003-09-18 公開日 2003-11-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Proteomics-based target identification: bengamides as a new class of methionine aminopeptidase inhibitors. J.Biol.Chem., 278, 2003
4EZ3	CDK2 in complex with NSC 134199 分子名称: 1,2-ETHANEDIOL, 4-[(E)-(6-hydroxy-2-oxo-1,2-dihydropyridin-3-yl)diazenyl]benzenesulfonamide, Cyclin-dependent kinase 2 著者 Alam, R, Martin, M, Zhu, J.-Y, Schonbrunn, E. 登録日 2012-05-02 公開日 2012-08-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
2O99	The crystal structure of E.coli IclR C-terminal fragment in complex with glyoxylate 分子名称: 1,2-ETHANEDIOL, Acetate operon repressor, GLYCOLIC ACID 著者 Lunin, V.V, Ezersky, A, Evdokimova, E, Kudritska, M, Savchenko, A. 登録日 2006-12-13 公開日 2007-04-10 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator. J.Biol.Chem., 282, 2007
2OLW	Crystal Structure of E. coli pseudouridine synthase RluE 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETIC ACID, Ribosomal large subunit pseudouridine synthase E, ... 著者 Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. 登録日 2007-01-19 公開日 2007-03-13 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE. J.Mol.Biol., 367, 2007
3ZGP	NMR structure of the catalytic domain from E. faecium L,D- transpeptidase acylated by ertapenem 分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ERFK/YBIS/YCFS/YNHG 著者 Lecoq, L, Triboulet, S, Dubee, V, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. 登録日 2012-12-18 公開日 2013-04-24 最終更新日 2024-11-06 実験手法 SOLUTION NMR 主引用文献 The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism. Acs Chem.Biol., 8, 2013
2OSX	Endo-glycoceramidase II from Rhodococcus sp.: Ganglioside GM3 Complex 分子名称: Endoglycoceramidase II, GLYCEROL, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... 著者 Caines, M.E.C, Strynadka, N.C.J. 登録日 2007-02-06 公開日 2007-02-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms. J.Biol.Chem., 282, 2007
2ZTN	Hepatitis E virus ORF2 (Genotype 3) 分子名称: Capsid protein 著者 Yamashita, T, Unno, H, Mori, Y, Li, T.C, Takeda, N, Matsuura, Y. 登録日 2008-10-08 公開日 2009-08-25 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (3.56 Å) 主引用文献 Biological and immunological characteristics of hepatitis E virus-like particles based on the crystal structure Proc.Natl.Acad.Sci.USA, 106, 2009
3ZJV	Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3213 in the editing conformation 分子名称: LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR 著者 Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J. 登録日 2013-01-18 公開日 2013-04-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria. Antimicrob.Agents Chemother., 57, 2013
4QMT	MST3 in complex with HESPERADIN 分子名称: 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, Serine/threonine-protein kinase 24 著者 Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. 登録日 2014-06-16 公開日 2015-07-01 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
3ZT2	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETATE ION, INTEGRASE, ... 著者 Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
3ZG4	NMR structure of the catalytic domain from E. faecium L,D- transpeptidase 分子名称: ERFK/YBIS/YCFS/YNHG 著者 Lecoq, L, Dubee, V, Triboulet, S, Bougault, C, Hugonnet, J.E, Arthur, M, Simorre, J.P. 登録日 2012-12-14 公開日 2013-04-24 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 The Structure of Enterococcus Faecium L,D---Transpeptidase Acylated by Ertapenem Provides Insight Into the Inactivation Mechanism. Acs Chem.Biol., 8, 2013
2O9A	The crystal structure of the E.coli IclR C-terminal fragment in complex with pyruvate. 分子名称: 1,2-ETHANEDIOL, Acetate operon repressor, PYRUVIC ACID 著者 Lunin, V.V, Ezersky, A, Evdokimova, E, Kudritska, M, Savchenko, A. 登録日 2006-12-13 公開日 2007-04-10 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator. J.Biol.Chem., 282, 2007
1Y6V	Structure of E. coli Alkaline Phosphatase in presence of cobalt at 1.60 A resolution 分子名称: Alkaline phosphatase, COBALT (II) ION, PHOSPHATE ION, ... 著者 Wang, J, Stieglitz, K, Kantrowitz, E.R. 登録日 2004-12-07 公開日 2005-06-21 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Metal Specificity Is Correlated with Two Crucial Active Site Residues in Escherichia coli Alkaline Phosphatase(,). Biochemistry, 44, 2005
3TH8	Structure of E. coli undecaprenyl diphosphate synthase complexed with BPH-1063 分子名称: (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase 著者 Cao, R, Zhu, W, Zhang, Y, Oldfield, E. 登録日 2011-08-18 公開日 2012-07-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.114 Å) 主引用文献 HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett, 3, 2012
2FEO	Mutant R188M of The Cytidine Monophosphate Kinase from E. coli complexed with dCMP 分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Cytidylate kinase, SULFATE ION 著者 Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. 登録日 2005-12-16 公開日 2006-01-10 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase. Febs J., 274, 2007
3WYJ	Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-789 分子名称: Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), [1-oxidanyl-2-[3-[3-[[3-[[3-[3-(2-oxidanyl-2,2-diphosphono-ethyl)phenyl]phenyl]sulfamoyl]phenyl]sulfonylamino]phenyl]phenyl]-1-phosphono-ethyl]phosphonic acid 著者 Gao, J, Ko, T.P, Huang, C.H, Oldfield, E, Guo, R.T. 登録日 2014-08-29 公開日 2015-02-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
2FEM	Mutant R188M of the Cytidine Monophosphate Kinase From E. Coli 分子名称: Cytidylate kinase 著者 Ofiteru, A, Bucurenci, N, Alexov, E, Bertrand, T, Briozzo, P, Munier-Lehmann, H, Tourneux, L, Barzu, O, Gilles, A.M. 登録日 2005-12-16 公開日 2006-01-10 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase. Febs J., 274, 2007
3ZT3	Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design 分子名称: 1,2-ETHANEDIOL, 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID, ACETIC ACID, ... 著者 Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. 登録日 2011-07-01 公開日 2012-07-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design. Plos One, 7, 2012
2ZE2	Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor 分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT 著者 Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. 登録日 2007-12-05 公開日 2008-02-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
3QJH	The crystal structure of the 5c.c7 TCR 分子名称: 5c.c7 alpha chain, 5c.c7 beta chain 著者 Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C. 登録日 2011-01-28 公開日 2011-04-27 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k). J.Immunol., 186, 2011
4BDB	Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) 分子名称: 1,2-ETHANEDIOL, 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol, NITRATE ION, ... 著者 Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. 登録日 2012-10-05 公開日 2013-06-26 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2. Plos One, 8, 2013

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