PDB: 214 件ウェブページステータス検索Chemie searchBIRD

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2XEY	Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors 分子名称: 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 著者 Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. 登録日 2010-05-19 公開日 2010-06-30 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
2YEX	Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors 分子名称: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. 登録日 2011-03-31 公開日 2012-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
2YER	Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors 分子名称: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. 登録日 2011-03-30 公開日 2012-03-14 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
2YM7	Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors 分子名称: 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 著者 Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. 登録日 2011-06-06 公開日 2012-01-11 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
2YDJ	Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas 分子名称: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. 登録日 2011-03-22 公開日 2012-01-25 最終更新日 2019-04-03 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
2YDI	Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas 分子名称: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION 著者 Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. 登録日 2011-03-21 公開日 2012-04-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
4BR5	Rat NTPDase2 in complex with Zn AMPPNP 分子名称: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRO	Legionella pneumophila NTPDase1 crystal form IV (part-open) 分子名称: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BQZ	Rat NTPDase2 in complex with Mg GMPPNP 分子名称: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, MAGNESIUM ION, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-03 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRD	Legionella pneumophila NTPDase1 Q193E crystal form II, closed, Mg AMPPNP complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRI	Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG UMPPNP 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CHLORIDE ION, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRA	Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPPNP complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GLYCEROL, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BR4	Legionella pneumophila NTPDase1 crystal form I, open, apo 分子名称: CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, MAGNESIUM ION 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-03 公開日 2013-07-17 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BR0	rat NTPDase2 in complex with Ca AMPNP 分子名称: 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CALCIUM ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-03 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRC	Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPNP complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CHLORIDE ION, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRK	Legionella pneumophila NTPDase1 N302Y variant crystal form III (closed) in complex with MG UMPPNP 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CHLORIDE ION, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BR2	rat NTPDase2 in complex with Ca UMPPNP 分子名称: 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine, CALCIUM ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-03 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRH	Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG AND THIAMINE PHOSPHOVANADATE 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, DECAVANADATE, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2019-01-30 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Crystallographic snapshots along the reaction pathway of nucleoside triphosphate diphosphohydrolases. Structure, 21, 2013
4BRE	Legionella pneumophila NTPDase1 crystal form II (closed) in complex with transition state mimic adenosine 5'phosphovanadate 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-PHOSPHOVANADATE, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRN	Legionella pneumophila NTPDase1 crystal form III (closed) in complex with Mg AMP 分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRL	Legionella pneumophila NTPDase1 crystal form III (closed) in complex with transition state mimic guanosine 5'-phosphovanadate 分子名称: CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GUANOSINE-5'-PHOSPHOVANADATE, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BR9	Legionella pneumophila NTPDase1 crystal form II, closed, apo 分子名称: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GLYCEROL, SULFATE ION 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRP	Legionella pneumophila NTPDase1 crystal form V (part-open) 分子名称: BROMIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRG	Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG GMPPNP 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-04 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
4BRQ	LEGIONELLA PNEUMOPHILA NTPDASE1 CRYSTAL FORM II, CLOSED, IN COMPLEX WITH TWO PHOSPHATES BOUND TO ACTIVE SITE MG AND PRODUCT AMP 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... 著者 Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. 登録日 2013-06-05 公開日 2013-07-17 最終更新日 2013-12-25 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013

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