7WYJ
 
 | | Structure of the complex of lactoperoxidase with nitric oxide catalytic product nitrite at 1.89 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Viswanathan, V, Pandey, N, Singh, A.K, Sinha, M, Singh, R.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2022-02-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structural evidence of the conversion of nitric oxide (NO) to nitrite ion (NO2-) by lactoperoxidase (LPO): Structure of the complex of LPO with NO2- at 1.89 angstrom resolution
J.Inorg.Biochem., 247, 2023
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5GLS
 | | Structure of bovine Lactoperoxidase with a partially modified covalent bond with heme moiety | | 分子名称: | 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Tiwari, P, Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P. | | 登録日 | 2016-07-12 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution
Biochim. Biophys. Acta, 1865, 2016
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6EDL
 | | hALK in complex with compound 1 (S)-N-(1-(2,4-difluorophenyl)ethyl)-3-(3-methyl-1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-6-amine | | 分子名称: | ALK tyrosine kinase receptor, N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | | 著者 | Lane, W, Saikatendu, K. | | 登録日 | 2018-08-09 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | | 主引用文献 | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
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6ATR
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5T8K
 | | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-09-07 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD.
To Be Published
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5DPX
 | | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | | 分子名称: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | | 著者 | Nauton, L, Garau, G, Khan, R, Dideberg, O. | | 登録日 | 2015-09-14 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases.
ChemMedChem, 12, 2017
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6E0R
 | | hALK in complex with compound 7 N-((1S)-1-(5-fluoropyridin-2-yl)ethyl)-1-(5-methyl-1H-pyrazol-3-yl)-3-(oxetan-3-ylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-6-amine | | 分子名称: | ALK tyrosine kinase receptor, N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-[(oxetan-3-yl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-6-amine | | 著者 | Lane, W, Saikatendu, K. | | 登録日 | 2018-07-06 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | | 主引用文献 | Discovery of Potent, Selective, and Brain-Penetrant 1 H-Pyrazol-5-yl-1 H-pyrrolo[2,3- b]pyridines as Anaplastic Lymphoma Kinase (ALK) Inhibitors.
J.Med.Chem., 62, 2019
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6BHR
 | | HIV-1 immature CTD-SP1 hexamer in complex with IP6 | | 分子名称: | Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE | | 著者 | Zadrozny, K, Wagner, J.M, Ganser-Pornillos, B.K, Pornillos, O. | | 登録日 | 2017-10-31 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.908 Å) | | 主引用文献 | Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
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3VO3
 | | Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative | | 分子名称: | 1,2-ETHANEDIOL, N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide, Vascular endothelial growth factor receptor 2 | | 著者 | Oki, H, Okada, K. | | 登録日 | 2012-01-19 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor
Bioorg.Med.Chem., 21, 2013
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6EB2
 | | HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid | | 分子名称: | (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase | | 著者 | Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. | | 登録日 | 2018-08-03 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors.
ACS Med Chem Lett, 10, 2019
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2Y1D
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue and manganese. | | 分子名称: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION | | 著者 | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | | 登録日 | 2010-12-08 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
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5TD3
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6B37
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol | | 分子名称: | 1,3-benzothiazol-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | 著者 | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | 登録日 | 2017-09-21 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol
To Be Published
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5HRO
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3IV7
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2Y1F
 | | X-ray structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with a 3,4- dichlorophenyl-substituted fosmidomycin analogue, manganese and NADPH. | | 分子名称: | (1S)-1-(3,4-DICHLOROPHENYL)-3-[FORMYL(HYDROXY)AMINO]PROPYL}PHOSPHONIC ACID, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, MANGANESE (II) ION, ... | | 著者 | Henriksson, L.M, Larsson, A.M.S, Bergfors, T, Bjorkelid, C, Unge, T, Mowbray, S.L, Jones, T.A. | | 登録日 | 2010-12-08 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
J.Med.Chem, 54, 2011
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5UMH
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5HP1
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3HB5
 | | Binary and ternary crystal structures of a novel inhibitor of 17 beta-HSD type 1: a lead compound for breast cancer therapy | | 分子名称: | 3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide, Estradiol 17-beta-dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Mazumdar, M, Lin, S.-X. | | 登録日 | 2009-05-04 | | 公開日 | 2009-12-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Binary and ternary crystal structure analyses of a novel inhibitor with 17beta-HSD type 1: a lead compound for breast cancer therapy.
Biochem.J., 424, 2009
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3NUU
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4KTV
 | | Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ... | | 著者 | Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L. | | 登録日 | 2013-05-21 | | 公開日 | 2014-07-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
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3O0F
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3W88
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200 | | 分子名称: | 1,2-ETHANEDIOL, 5-[4-(6-carboxynaphthalen-2-yl)butyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | | 著者 | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | 登録日 | 2013-03-12 | | 公開日 | 2014-03-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-200
To be Published
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3OYT
 | | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92 | | 分子名称: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase I, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-09-23 | | 公開日 | 2011-01-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
To be Published
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1I30
 | | E. Coli Enoyl Reductase +NAD+SB385826 | | 分子名称: | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)-9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY-2H-PYRIDO[3,4-B]INDOLE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Seefeld, M.A, Miller, W.H, Payne, D.J, Janson, C.A, Qiu, X. | | 登録日 | 2001-02-12 | | 公開日 | 2002-02-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents.
Bioorg.Med.Chem.Lett., 11, 2001
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