5ENK
| Compound 18 | 分子名称: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL, ... | 著者 | Lewis, H.A. | 登録日 | 2015-11-09 | 公開日 | 2016-07-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents. Acs Med.Chem.Lett., 7, 2016
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4E4L
| JAK1 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2012-07-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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3BRM
| Crystal structure of the covalent complex between the Bacillus subtilis glutaminase YbgJ and 5-oxo-L-norleucine formed by reaction of the protein with 6-diazo-5-oxo-L-norleucine | 分子名称: | 5-OXO-L-NORLEUCINE, Glutaminase 1 | 著者 | Singer, A.U, Kim, Y, Dementieva, I, Vinokour, E, Joachimiak, A, Savchenko, A, Yakunin, A. | 登録日 | 2007-12-21 | 公開日 | 2008-05-20 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Functional and structural characterization of four glutaminases from Escherichia coli and Bacillus subtilis. Biochemistry, 47, 2008
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4XTK
| Structure of TM1797, a CAS1 protein from Thermotoga maritima | 分子名称: | CRISPR-associated endonuclease Cas1 | 著者 | Petit, P, Beloglazova, N, Skarina, T, Chang, C, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2015-01-23 | 公開日 | 2015-02-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure and nuclease activity of tm1797, a cas1 protein from thermotoga maritima To Be Published
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7RQG
| Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2 | 分子名称: | Non-structural protein 3 | 著者 | Stogios, P.J, Skarina, T, Chang, C, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2021-08-06 | 公開日 | 2021-08-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Crystal structure of the Nsp3 Y3 domain from SARS-CoV-2 To Be Published
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4FK6
| JAK1 kinase (JH1 domain) in complex with compound 72 | 分子名称: | N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide, Tyrosine-protein kinase JAK1 | 著者 | Eigenbrot, C, Steffek, M. | 登録日 | 2012-06-12 | 公開日 | 2012-11-07 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2. Bioorg.Med.Chem.Lett., 22, 2012
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4GIH
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4GFM
| JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 分子名称: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-08-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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4GMY
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1W89
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1W4V
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4NWL
| Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | 分子名称: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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4NWM
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4NWK
| Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | 分子名称: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | 著者 | Muckelbauer, J.K, Klei, H.E. | 登録日 | 2013-12-06 | 公開日 | 2014-03-26 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection. J.Med.Chem., 57, 2014
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1UVZ
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4E4N
| JAK1 kinase (JH1 domain) in complex with compound 49 | 分子名称: | Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E6Q
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4E5W
| JAK1 kinase (JH1 domain) in complex with compound 26 | 分子名称: | DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone | 著者 | Murray, J.M. | 登録日 | 2012-03-14 | 公開日 | 2012-05-30 | 最終更新日 | 2012-07-11 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E6D
| JAK2 kinase (JH1 domain) triple mutant in complex with compound 7 | 分子名称: | 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Murray, J.M. | 登録日 | 2012-03-15 | 公開日 | 2012-05-30 | 最終更新日 | 2023-03-01 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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4E4M
| JAK2 kinase (JH1 domain) in complex with compound 30 | 分子名称: | 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 | 著者 | Eigenbrot, C. | 登録日 | 2012-03-13 | 公開日 | 2012-05-30 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
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2AMF
| Crystal structure of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus Pyogenes | 分子名称: | 1-Pyrroline-5-Carboxylate reductase, PROLINE, SODIUM ION | 著者 | Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-08-09 | 公開日 | 2005-09-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes J.Mol.Biol., 354, 2005
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5BSF
| Crystal structure of Medicago truncatula (delta)1-Pyrroline-5-Carboxylate Reductase (MtP5CR) in complex with NAD+ | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Ruszkowski, M, Nocek, B, Forlani, G, Dauter, Z. | 登録日 | 2015-06-02 | 公開日 | 2015-11-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants. Front Plant Sci, 6, 2015
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2AHR
| Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus pyogenes | 分子名称: | FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | 著者 | Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2005-07-28 | 公開日 | 2005-09-13 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes J.Mol.Biol., 354, 2005
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4GII
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4GFO
| TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | 分子名称: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | 著者 | Eigenbrot, C, Ultsch, M. | 登録日 | 2012-08-03 | 公開日 | 2013-06-19 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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