PDB: 5653 件ウェブページステータス検索Chemie searchBIRD

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7S87	Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 分子名称: (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-09-17 公開日 2021-09-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Crystal Structure of Dihydroorotate dehydrogenase from Plasmodium falciparum in complex with Orotate, FMN, and inhibitor NCGC00600348-01 To Be Published
5HKG	Total chemical synthesis, refolding and crystallographic structure of a fully active immunophilin: calstabin 2 (FKBP12.6). 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... 著者 Sirigu, S, Huet, T, Bacchi, M, Jullian, M, Fould, B, Ferry, G, Vuillard, L, Chavas, L, Puget, K, Nosjean, O, Boutin, J.A. 登録日 2016-01-14 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Total chemical synthesis, refolding, and crystallographic structure of fully active immunophilin calstabin 2 (FKBP12.6). Protein Sci., 25, 2016
6R63	Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0358 分子名称: 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE 著者 Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. 登録日 2019-03-26 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.894 Å) 主引用文献 Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1). J.Med.Chem., 62, 2019
3LP8	Crystal structure of phosphoribosylamine-glycine ligase from Ehrlichia chaffeensis 分子名称: PHOSPHATE ION, Phosphoribosylamine-glycine ligase, UNKNOWN ATOM OR ION 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2010-02-04 公開日 2010-02-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of phosphoribosylamine-glycine ligase from Ehrlichia chaffeensis To be Published
7SKB	Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii 分子名称: Aspartate-semialdehyde dehydrogenase, L(+)-TARTARIC ACID 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2021-10-20 公開日 2021-11-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii to be published
4PK5	Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1 分子名称: Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Kohno, T, Tojo, S, Ishii, T. 登録日 2014-05-13 公開日 2014-09-03 最終更新日 2020-01-29 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
4PK6	Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative 分子名称: Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE 著者 Kohno, T, Tojo, S, Ishii, T, Kamioka, S. 登録日 2014-05-13 公開日 2014-09-03 最終更新日 2017-10-04 実験手法 X-RAY DIFFRACTION (3.45 Å) 主引用文献 Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
4PJ1	Crystal structure of the human mitochondrial chaperonin symmetrical 'football' complex 分子名称: 10 kDa heat shock protein, mitochondrial, 60 kDa heat shock protein, ... 著者 Frolow, F, Azem, A, Nisemblat, S. 登録日 2014-05-10 公開日 2015-04-29 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Crystal structure of the human mitochondrial chaperonin symmetrical football complex. Proc.Natl.Acad.Sci.USA, 112, 2015
3MDY	Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 分子名称: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A 著者 Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) 登録日 2010-03-31 公開日 2010-05-19 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189 To be Published
7MYD	Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile 分子名称: 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ... 著者 Pinheiro, M.P, Cardoso, I.A, Hunter, W.N, Nonato, M.C. 登録日 2021-05-20 公開日 2022-05-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile To Be Published
5IN4	Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor 分子名称: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Sickmier, E.A. 登録日 2016-03-07 公開日 2016-08-17 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase. Acs Chem.Biol., 11, 2016
6RM2	Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ... 著者 Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. 登録日 2019-05-04 公開日 2020-06-03 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution To Be Published
3MJF	Phosphoribosylamine-glycine ligase from Yersinia pestis 分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... 著者 Osipiuk, J, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2010-04-12 公開日 2010-05-26 最終更新日 2017-11-08 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 X-ray crystal structure of phosphoribosylamine-glycine ligase from Yersinia pestis. To be Published
7O45	Crystal structure of ADD domain of the human DNMT3B methyltransferase 分子名称: BROMIDE ION, Isoform 6 of DNA (cytosine-5)-methyltransferase 3B, ZINC ION 著者 Boyko, K.M, Nikolaeva, A.Y, Bonchuk, A.N, Georgiev, P.G, Popov, V.O. 登録日 2021-04-05 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of the DNMT3B ADD domain suggests the absence of a DNMT3A-like autoinhibitory mechanism. Biochem.Biophys.Res.Commun., 619, 2022
7OQM	Human OMPD-domain of UMPS in complex with substrate OMP at 1.05 Angstroms resolution, 20 minutes soaking 分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-03 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OQN	Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 30 minutes soaking 分子名称: GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-03 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OQF	Human OMPD-domain of UMPS in complex with OMP at 1.05 Angstrom resolution, 5 minutes soaking 分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-03 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OQI	Human OMPD-domain of UMPS in complex with substrate OMP at 1.15 Angstrom resolution, 10 minutes soaking 分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-03 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OQK	Human OMPD-domain of UMPS in complex with substrate OMP at 1.10 Angstroms resolution, 15 minutes soaking 分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-03 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OUZ	Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.9 Angstroms resolution, crystal 1 分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, PROLINE, ... 著者 Rindfleisch, S, Tittmann, K. 登録日 2021-06-14 公開日 2022-04-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OV0	Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 0.95 Angstrom resolution 分子名称: GLYCEROL, PROLINE, SULFATE ION, ... 著者 Rindfleisch, S, Rabe von Pappenheim, F. 登録日 2021-06-14 公開日 2022-04-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7OTU	Human OMPD-domain of UMPS in complex with 6-hydroxy-UMP at 0.95 Angstroms resolution, crystal 2 分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Isoform 2 of Uridine 5'-monophosphate synthase 著者 Rindfleisch, S, Rabe von Pappenheim, F, Tittmann, K. 登録日 2021-06-10 公開日 2022-04-20 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.95 Å) 主引用文献 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
7ZV3	Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0472 分子名称: 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... 著者 Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. 登録日 2022-05-13 公開日 2022-07-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.551 Å) 主引用文献 Structure-based optimization of type III indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. J Enzyme Inhib Med Chem, 37, 2022
5H2Z	Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF 分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... 著者 Wu, D, Huang, J. 登録日 2016-10-19 公開日 2017-03-01 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF To Be Published
5HW2	Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid 分子名称: 1,2-ETHANEDIOL, Adenylosuccinate lyase, FUMARIC ACID, ... 著者 Chang, C, Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2016-01-28 公開日 2016-02-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.054 Å) 主引用文献 Crystal Structure of Adenylosuccinate Lyase from Francisella tularensis Complexed with fumaric acid To Be Published

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