4Y79
 
 | | Factor Xa complex with GTC000406 | | 分子名称: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ... | | 著者 | Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S. | | 登録日 | 2015-02-13 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
|
|
1OON
 | | Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217 | | 分子名称: | 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | 著者 | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | 登録日 | 2003-03-04 | | 公開日 | 2003-04-08 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
|
|
4Z3P
 | |
2ZD1
 | | Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | | 著者 | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | 登録日 | 2007-11-16 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 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
|
|
1OOQ
 | | Nitroreductase from e-coli in complex with the inhibitor dicoumarol | | 分子名称: | BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-BENZOPYRONE], FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | | 著者 | Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S. | | 登録日 | 2003-03-04 | | 公開日 | 2003-04-02 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
|
|
3ZH7
 | | The structure of crystal form II of Haemophilus influenzae protein E | | 分子名称: | 1,2-ETHANEDIOL, PROTEIN E | | 著者 | Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M. | | 登録日 | 2012-12-20 | | 公開日 | 2013-04-17 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
|
|
1CRZ
 | | CRYSTAL STRUCTURE OF THE E. COLI TOLB PROTEIN | | 分子名称: | TOLB PROTEIN | | 著者 | Abergel, C, Bouveret, E, Claverie, J.-M, Brown, K, Rigal, A, Lazdunski, C, Benedetti, H. | | 登録日 | 1999-08-16 | | 公開日 | 2000-08-16 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of the Escherichia coli TolB protein determined by MAD methods at 1.95 A resolution.
Structure Fold.Des., 7, 1999
|
|
2W7X
 | | Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019 | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ... | | 著者 | Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y. | | 登録日 | 2009-01-06 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
|
|
4PPP
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Fluoro-Resveratrol | | 分子名称: | 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | 登録日 | 2014-02-27 | | 公開日 | 2014-05-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.686 Å) | | 主引用文献 | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
|
|
3BGR
 | | Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (Rilpivirine), a non-nucleoside RT inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ... | | 著者 | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | | 登録日 | 2007-11-27 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 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
|
|
3RV8
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Cyclopropyl R-Group | | 分子名称: | 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI | | 著者 | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2011-05-06 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
|
|
3IMQ
 | | Crystal structure of the NusB101-S10(delta loop) complex | | 分子名称: | 30S ribosomal protein S10, N utilization substance protein B, POTASSIUM ION | | 著者 | Luo, X, Wahl, M.C. | | 登録日 | 2009-08-11 | | 公開日 | 2009-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fine tuning of the E. coli NusB:NusE complex affinity to BoxA RNA is required for processive antitermination.
Nucleic Acids Res., 38, 2010
|
|
3RV6
 | | Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl R-Group | | 分子名称: | 3-{[(E)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ... | | 著者 | Chi, G, Bulloch, E.M.M, Manos-Turvey, A, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2011-05-06 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis
Biochemistry, 51, 2012
|
|
1PS7
 | | Crystal structure of E.coli PdxA | | 分子名称: | 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION | | 著者 | Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M. | | 登録日 | 2003-06-20 | | 公開日 | 2003-11-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
|
|
2FEQ
 | | orally active thrombin inhibitors | | 分子名称: | Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ... | | 著者 | Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W. | | 登録日 | 2005-12-16 | | 公開日 | 2006-08-08 | | 最終更新日 | 2018-04-04 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
|
|
1FVV
 | | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | | 分子名称: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | | 著者 | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | | 登録日 | 2000-09-20 | | 公開日 | 2001-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
|
|
1GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | 分子名称: | PROTEIN (GLNK), SULFATE ION | | 著者 | Xu, Y, Cheah, E, Carr, P.D, Vanheeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | 登録日 | 1998-07-14 | | 公開日 | 1999-07-23 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
|
|
3ZH6
 | |
3ZH5
 | | The structure of Haemophilus influenzae protein E | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, PROTEIN E | | 著者 | Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M. | | 登録日 | 2012-12-20 | | 公開日 | 2013-03-20 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | | 主引用文献 | The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
|
|
4I7F
 | |
4ICL
 | | HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | | 分子名称: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-10 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
|
|
4IFY
 | | HIV-1 reverse transcriptase with bound fragment at the Knuckles site | | 分子名称: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-15 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
|
|
4IDK
 | | HIV-1 reverse transcriptase with bound fragment at the 428 site | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Bauman, J.D, Patel, D, Arnold, E. | | 登録日 | 2012-12-12 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
|
|
3GOL
 | | HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d | | 分子名称: | (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase | | 著者 | Nyanguile, O, De Bondt, H. | | 登録日 | 2009-03-19 | | 公開日 | 2009-06-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | 1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
|
|
4IFV
 | | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening | | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... | | 著者 | Bauman, J.D, Patel, D, Fromer, M, Arnold, E. | | 登録日 | 2012-12-15 | | 公開日 | 2013-02-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
|
|
