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
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3B92
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3JZ1
 | | Crystal structure of human thrombin mutant N143P in E:Na+ form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NITRATE ION, ... | | 著者 | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | | 登録日 | 2009-09-22 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
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3B7B
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3BAQ
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3BA5
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3BAD
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3JZ2
 | | Crystal structure of human thrombin mutant N143P in E* form | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ... | | 著者 | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | | 登録日 | 2009-09-22 | | 公開日 | 2009-10-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
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3BEL
 | | X-ray structure of EGFR in complex with oxime inhibitor | | 分子名称: | 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION | | 著者 | Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J. | | 登録日 | 2007-11-19 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3BEU
 | | Na+-Dependent Allostery Mediates Coagulation Factor Protease Active Site Selectivity | | 分子名称: | BENZAMIDINE, CALCIUM ION, SODIUM ION, ... | | 著者 | Page, M.J, Carrell, C.J, Di Cera, E. | | 登録日 | 2007-11-20 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Engineering protein allostery: 1.05 A resolution structure and enzymatic properties of a Na+-activated trypsin.
J.Mol.Biol., 378, 2008
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2W3M
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3BJU
 | | Crystal Structure of tetrameric form of human lysyl-tRNA synthetase | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, LYSINE, ... | | 著者 | Guo, M, Yang, X.L, Schimmel, P. | | 登録日 | 2007-12-04 | | 公開日 | 2008-02-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Crystal structure of tetrameric form of human lysyl-tRNA synthetase: Implications for multisynthetase complex formation
Proc.Natl.Acad.Sci.Usa, 105, 2008
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2VIJ
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | 著者 | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | 登録日 | 2007-12-04 | | 公開日 | 2008-01-29 | | 最終更新日 | 2019-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
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2VIZ
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide | | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide | | 著者 | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | 登録日 | 2007-12-06 | | 公開日 | 2008-01-29 | | 最終更新日 | 2019-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
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2VA5
 | | X-ray crystal structure of beta secretase complexed with compound 8c | | 分子名称: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | | 著者 | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | | 登録日 | 2007-08-30 | | 公開日 | 2007-11-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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3CCT
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | 分子名称: | (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | 登録日 | 2008-02-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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3CCZ
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | 分子名称: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | 登録日 | 2008-02-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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3CD5
 | | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | | 分子名称: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | | 著者 | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | | 登録日 | 2008-02-26 | | 公開日 | 2008-06-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase.
J.Med.Chem., 51, 2008
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3C5F
 | | Structure of a binary complex of the R517A Pol lambda mutant | | 分子名称: | DNA (5'-D(*DCP*DAP*DGP*DTP*DAP*DC)-3'), DNA (5'-D(*DCP*DGP*DGP*DCP*DCP*DGP*DTP*DAP*DCP*DTP*DG)-3'), DNA (5'-D(P*DGP*DCP*DCP*DG)-3'), ... | | 著者 | Garcia-Diaz, M, Bebenek, K, Foley, M.C, Pedersen, L.C, Schlick, T, Kunkel, T.A. | | 登録日 | 2008-01-31 | | 公開日 | 2008-09-02 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Substrate-induced DNA strand misalignment during catalytic cycling by DNA polymerase lambda.
Embo Rep., 9, 2008
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2VDC
 | | THE 9.5 A RESOLUTION STRUCTURE OF GLUTAMATE SYNTHASE FROM CRYO-ELECTRON MICROSCOPY AND ITS OLIGOMERIZATION BEHAVIOR IN SOLUTION: FUNCTIONAL IMPLICATIONS. | | 分子名称: | 2-OXOGLUTARIC ACID, FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Cottevieille, M, Larquet, E, Jonic, S, Petoukhov, M.V, Caprini, G, Paravisi, S, Svergun, D.I, Vanoni, M.A, Boisset, N. | | 登録日 | 2007-10-04 | | 公開日 | 2008-01-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (9.5 Å) | | 主引用文献 | The Subnanometer Resolution Structure of the Glutamate Synthase 1.2-Mda Hexamer by Cryoelectron Microscopy and its Oligomerization Behavior in Solution: Functional Implications.
J.Biol.Chem., 283, 2008
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3CBJ
 | | Chagasin-Cathepsin B complex | | 分子名称: | Cathepsin B, Chagasin, PHOSPHATE ION | | 著者 | Redzynia, I, Bujacz, G.D, Abrahamson, M, Ljunggren, A, Jaskolski, M, Mort, J.S. | | 登録日 | 2008-02-22 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Displacement of the occluding loop by the parasite protein, chagasin, results in efficient inhibition of human cathepsin B.
J.Biol.Chem., 283, 2008
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3BPS
 | | PCSK9:EGF-A complex | | 分子名称: | CALCIUM ION, Low-density lipoprotein receptor, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Kwon, H.J. | | 登録日 | 2007-12-19 | | 公開日 | 2008-02-12 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Molecular basis for LDL receptor recognition by PCSK9.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BUA
 | | Crystal Structure of TRF2 TRFH domain and APOLLO peptide complex | | 分子名称: | DNA cross-link repair 1B protein, Telomeric repeat-binding factor 2 | | 著者 | Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M. | | 登録日 | 2008-01-02 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
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3BUV
 | | Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A. | | 分子名称: | 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | 著者 | Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W. | | 登録日 | 2008-01-03 | | 公開日 | 2008-04-01 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
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3BZ9
 | | Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | | 分子名称: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Allingham, J.S, Rayment, I. | | 登録日 | 2008-01-17 | | 公開日 | 2008-02-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
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