4ACF
 
 | | CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) AND L-METHIONINE-S-SULFOXIMINE PHOSPHATE. | | 分子名称: | CHLORIDE ION, GLUTAMINE SYNTHETASE 1, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... | | 著者 | Nilsson, M.T, Mowbray, S.L. | | 登録日 | 2011-12-15 | | 公開日 | 2012-10-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synthesis, Biological Evaluation and X-Ray Crystallographic Studies of Imidazo(1,2-A)Pyridine-Based Mycobacterium Tuberculosis Glutamine Synthetase Inhibitors
Medchemcomm, 3, 2012
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2C3T
 | | Human glutathione-S-transferase T1-1, W234R mutant, apo form | | 分子名称: | GLUTATHIONE S-TRANSFERASE THETA 1 | | 著者 | Tars, K, Larsson, A.-K, Shokeer, A, Olin, B, Mannervik, B, Kleywegt, G.J. | | 登録日 | 2005-10-12 | | 公開日 | 2005-11-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis of the Suppressed Catalytic Activity of Wild-Type Human Glutathione Transferase T1-1 Compared to its W234R Mutant.
J.Mol.Biol., 355, 2006
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2C6L
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | 分子名称: | 4-({5-[(4-AMINOCYCLOHEXYL)AMINO][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL}AMINO)BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2005-11-10 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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2C3N
 | | Human glutathione-S-transferase T1-1, apo form | | 分子名称: | GLUTATHIONE S-TRANSFERASE THETA 1, IODIDE ION | | 著者 | Tars, K, Larsson, A.-K, Shokeer, A, Olin, B, Mannervik, B, Kleywegt, G.J. | | 登録日 | 2005-10-11 | | 公開日 | 2005-11-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Basis of the Suppressed Catalytic Activity of Wild-Type Human Glutathione Transferase T1-1 Compared to its W234R Mutant.
J.Mol.Biol., 355, 2006
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4A7I
 | | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | | 登録日 | 2011-11-14 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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2BRH
 | | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | | 分子名称: | N-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)GLYCINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | | 登録日 | 2005-05-05 | | 公開日 | 2005-05-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
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2C4G
 | | STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514 | | 分子名称: | (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G. | | 登録日 | 2005-10-19 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2C3K
 | | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | | 分子名称: | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | | 登録日 | 2005-10-10 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
Bioorg.Med.Chem., 14, 2006
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4AGA
 | | Hofmeister effects of ionic liquids in protein crystallization: direct and water-mediated interactions | | 分子名称: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | 著者 | Mukhopadhyay, A, Carvalho, A.L, Romao, M.J. | | 登録日 | 2012-01-25 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hofmeister Effects of Ionic Liquids in Protein Crystallization: Direct and Water-Mediated Interactions
Cryst.Eng.Comm., 14, 2012
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2CNO
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | 分子名称: | Aza-peptide epoxide, Caspase-3 | | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | 登録日 | 2006-05-22 | | 公開日 | 2007-05-22 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2CDR
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | 分子名称: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G. | | 登録日 | 2006-01-27 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors.
Biochemistry, 45, 2006
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2CNL
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | 分子名称: | AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C. | | 登録日 | 2006-05-22 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2CNK
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | 分子名称: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT | | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | 登録日 | 2006-05-22 | | 公開日 | 2007-05-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2CGO
 | | FACTOR INHIBITING HIF-1 ALPHA with fumarate | | 分子名称: | FE (III) ION, FUMARIC ACID, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, ... | | 著者 | McDonough, M.A, Clifton, I.J, Schofield, C.J. | | 登録日 | 2006-03-09 | | 公開日 | 2006-12-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
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2CNN
 | | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | | 分子名称: | AZA-PEPTIDE EXPOXIDE, Caspase-3 | | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | | 登録日 | 2006-05-22 | | 公開日 | 2007-05-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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2C7P
 | | HhaI DNA methyltransferase complex with oligonucleotide containing 2- aminopurine opposite to the target base (GCGC:GMPC) and SAH | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*G*GP*AP*TP*GP*(5CM*2PR)*CP*TP*GP*AP*C)-3', 5'-D(*G*TP*CP*AP*GP*CP*GP*CP*AP*TP*CP*C)-3', ... | | 著者 | Neely, R.K, Daujotyte, D, Grazulis, S, Magennis, S.W, Dryden, D.T.F, Klimasauskas, S, Jones, A.C. | | 登録日 | 2005-11-25 | | 公開日 | 2005-12-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Time-Resolved Fluorescence of 2-Aminopurine as a Probe of Base Flipping in M.HhaI-DNA Complexes.
Nucleic Acids Res., 33, 2005
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2CIO
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2C6M
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | 分子名称: | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2005-11-10 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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2C82
 | | X-Ray Structure Of 1-Deoxy-D-xylulose 5-phosphate Reductoisomerase, DXR, Rv2870c, From Mycobacterium tuberculosis | | 分子名称: | 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, SULFATE ION | | 著者 | Henriksson, L.M, Bjorkelid, C, Mowbray, S.L, Unge, T. | | 登録日 | 2005-11-30 | | 公開日 | 2006-06-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The 1.9 A Resolution Structure of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase, a Potential Drug Target.
Acta Crystallogr.,Sect.D, 62, 2006
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3KYM
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2C8Y
 | | thrombin inhibitors | | 分子名称: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE, ... | | 著者 | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | 登録日 | 2005-12-08 | | 公開日 | 2006-07-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2CGN
 | | FACTOR INHIBITING HIF-1 ALPHA with succinate | | 分子名称: | FE (III) ION, HYPOXIA-INDUCIBLE FACTOR 1 ALPHA INHIBITOR, SUCCINIC ACID, ... | | 著者 | McDonough, M.A, Clifton, I.J, Schofield, C.J. | | 登録日 | 2006-03-09 | | 公開日 | 2006-12-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and Mechanistic Studies on the Inhibition of the Hypoxia-Inducible Transcription Factor Hydroxylases by Tricarboxylic Acid Cycle Intermediates.
J.Biol.Chem., 282, 2007
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2CLZ
 | | Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and pBM1 peptide | | 分子名称: | BETA-2 MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN, ... | | 著者 | Mazza, C, Auphan-Anezin, N, Guimezanes, A, Barrett-Wilt, G.A, Montero-Julian, F, Roussel, A, Hunt, D.F, Schmitt-Verhulst, A.M, Malissen, B. | | 登録日 | 2006-05-03 | | 公開日 | 2006-06-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Distinct Orientation of the Alloreactive Monoclonal Cd8 T Cell Activation Program by Three Different Peptide/Mhc Complexes.
Eur.J.Immunol., 36, 2006
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1OG2
 | | Structure of human cytochrome P450 CYP2C9 | | 分子名称: | CYTOCHROME P450 2C9, HEME C | | 著者 | Williams, P.A, Cosme, J, Ward, A, Angove, H.C, Matak Vinkovic, D, Jhoti, H. | | 登録日 | 2003-04-23 | | 公開日 | 2003-07-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal Structure of Human Cytochrome P450 2C9 with Bound Warfarin
Nature, 424, 2003
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2C8P
 | | lysozyme (60sec) and UV laser excited fluorescence | | 分子名称: | LYSOZYME C | | 著者 | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | | 登録日 | 2005-12-06 | | 公開日 | 2006-03-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops.
Acta Crystallogr.,Sect.D, 62, 2006
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