2UAG
 
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PROTEIN (UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE), ... | | 著者 | Bertrand, J, Fanchon, E, Dideberg, O. | | 登録日 | 1999-02-23 | | 公開日 | 2000-02-25 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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4UAG
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | 分子名称: | SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ... | | 著者 | Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | | 登録日 | 1999-03-09 | | 公開日 | 2000-03-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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4D0W
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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4D1S
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-05-05 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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1E0D
 | | UDP-N-Acetylmuramoyl-L-Alanine:D-Glutamate Ligase | | 分子名称: | SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | 著者 | Fanchon, E, Bertrand, J, Chantalat, L, Dideberg, O. | | 登録日 | 2000-03-24 | | 公開日 | 2000-06-09 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | "Open" Structures of Murd: Domain Movements and Structural Similarities with Folylpolyglutamate Synthetase.
J.Mol.Biol., 301, 2000
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2GFS
 | | P38 Kinase Crystal Structure in complex with RO3201195 | | 分子名称: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | 著者 | Harris, S.F, Bertrand, J, Villasenor, A. | | 登録日 | 2006-03-23 | | 公開日 | 2006-04-18 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | | 主引用文献 | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase
J.Med.Chem., 49, 2006
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4D0X
 | | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | | 分子名称: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | | 登録日 | 2014-04-30 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors.
Bioorg.Med.Chem., 22, 2014
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5AEP
 | | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders | | 分子名称: | 1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Canevari, G, Bertrand, J, Brasca, M.G, Nesi, M, Amboldi, N, Avanzi, N, Bindi, S, Casero, D, Ciomei, M, Colombo, N, Cribioli, S, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Motto, I, Panzeri, A, Gnocchi, P, Donati, D. | | 登録日 | 2015-01-08 | | 公開日 | 2015-04-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Novel Pyrrole Carboxamide Inhibitors of Jak2 as Potential Treatment of Myeloproliferative Disorders.
Bioorg.Med.Chem., 23, 2015
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1UAG
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1MAY
 | | BETA-TRYPSIN PHOSPHONATE INHIBITED | | 分子名称: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | 著者 | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | | 登録日 | 1996-02-06 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
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1MAX
 | | BETA-TRYPSIN PHOSPHONATE INHIBITED | | 分子名称: | BETA-TRYPSIN, CALCIUM ION, [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | | 著者 | Bertrand, J, Oleksyszyn, J, Kam, C, Boduszek, B, Presnell, S, Plaskon, R, Suddath, F, Powers, J, Williams, L. | | 登録日 | 1996-02-06 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Inhibition of trypsin and thrombin by amino(4-amidinophenyl)methanephosphonate diphenyl ester derivatives: X-ray structures and molecular models.
Biochemistry, 35, 1996
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3UAG
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Bertrand, J.A, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | | 登録日 | 1999-02-24 | | 公開日 | 2000-02-25 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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1QDD
 | | CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION | | 分子名称: | LITHOSTATHINE, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-glucopyranose | | 著者 | Gerbaud, V, Pignol, D, Loret, E, Bertrand, J.A, Berland, Y, Fontecilla-Camps, J.C, Canselier, J.P, Gabas, N, Verdier, J.M. | | 登録日 | 1999-05-20 | | 公開日 | 1999-05-28 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine.
J.Biol.Chem., 275, 2000
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1BJV
 | | BETA-TRYPSIN COMPLEXED WITH APPU | | 分子名称: | 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | 登録日 | 1998-06-29 | | 公開日 | 1998-12-02 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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1BJU
 | | BETA-TRYPSIN COMPLEXED WITH ACPU | | 分子名称: | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA, BETA-TRYPSIN, CALCIUM ION, ... | | 著者 | Presnell, S, Patil, G, Mura, C, Jude, K, Conley, J, Kam, C, Bertrand, J, Powers, J, Williams, L. | | 登録日 | 1998-06-29 | | 公開日 | 1998-12-02 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Oxyanion-mediated inhibition of serine proteases.
Biochemistry, 37, 1998
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7NZY
 | | Crystal structure of human Casein Kinase I delta in complex with CGS-15943 | | 分子名称: | 9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine, Casein kinase I isoform delta, MALONATE ION, ... | | 著者 | Pichlo, C, Baumann, U. | | 登録日 | 2021-03-24 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Phenotypic Discovery of Triazolo[1,5- c ]quinazolines as a First-In-Class Bone Morphogenetic Protein Amplifier Chemotype.
J.Med.Chem., 65, 2022
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4O3M
 | | Ternary complex of Bloom's syndrome helicase | | 分子名称: | 1,2-ETHANEDIOL, 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP*CP*AP*AP*G)-3', 5'-D(*CP*TP*TP*GP*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*TP*CP*CP*CP*TP*TP*A)-3', ... | | 著者 | Swan, M.K, Bertrand, J. | | 登録日 | 2013-12-18 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of human Bloom's syndrome helicase in complex with ADP and duplex DNA.
Acta Crystallogr.,Sect.D, 70, 2014
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3FSF
 | | P38 kinase crystal structure in complex with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | | 分子名称: | 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | | 著者 | Kuglstatter, A, Bertrand, J, Lovejoy, B. | | 登録日 | 2009-01-09 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
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3FSK
 | | P38 kinase crystal structure in complex with RO6257 | | 分子名称: | 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Mitogen-activated protein kinase 14 | | 著者 | Kuglstatter, A, Bertrand, J, Takahara, P, Villasenor, A. | | 登録日 | 2009-01-09 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
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