PDB: 31311 件ウェブページステータス検索Chemie searchBIRD

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7UG8	Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium 分子名称: 1,2-ETHANEDIOL, 2-oxopentanoic acid, CALCIUM ION, ... 著者 Shah, B.S, Mikolajek, H, Orr, C.M, Mykhaylyk, V, Owens, R.J, Paulsen, I.T. 登録日 2022-03-24 公開日 2023-04-19 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.796 Å) 主引用文献 Crystal structure of a solute receptor from Synechococcus CC9311 in complex with alpha-ketovaleric and calcium To Be Published
7UN2	Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with Indole-3-butyric acid 分子名称: 3-INDOLEBUTYRIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 de Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M. 登録日 2022-04-08 公開日 2023-04-19 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural analysis of Canavalia maritima lectin complexed with auxins To Be Published
7UNI	De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM 分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ... 著者 Kennedy, M.A, Stoddard, B.L, Ennist, N.M. 登録日 2022-04-11 公開日 2023-04-19 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 De novo design of proteins housing excitonically coupled chlorophyll special pairs. Nat.Chem.Biol., 2024
7XQE	Crystal Structure of human RORgamma (C455E) LBD in complex with compound XY039 分子名称: 2,4-difluoro-N-(1-((4-(trifluoromethyl)benzyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide, ETHANOL, GLYCEROL, ... 著者 Wu, X, Li, C, Zhang, Y, Xu, Y. 登録日 2022-05-07 公開日 2023-05-31 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.57 Å) 主引用文献 Discovery and pharmacological characterization of 1,2,3,4-tetrahydroquinoline derivatives as ROR gamma inverse agonists against prostate cancer. Acta Pharmacol.Sin., 2024
8QGF	CRYSTAL STRUCTURE OF AS-ISOLATED M148L MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII 分子名称: COPPER (II) ION, Copper-containing nitrite reductase, HEME C 著者 Petchyam, N, Antonyuk, S, Hasnain, S.S. 登録日 2023-09-05 公開日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.32 Å) 主引用文献 Structural studies of haem three-domain copper nitrite reductase mutants from Ralstonia pickettii To Be Published
5TVU	Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg 分子名称: ADENOSINE-5'-TRIPHOSPHATE, TNF receptor-associated protein 1 著者 Elnatan, D, Betegon, M, Agard, D.A. 登録日 2016-11-10 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Symmetry broken and rebroken during the ATP hydrolysis cycle of the mitochondrial Hsp90 TRAP1. Elife, 6, 2017
8JNY	Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor 分子名称: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 2 著者 Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. 登録日 2023-06-06 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor To Be Published
8JNZ	Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor 分子名称: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... 著者 Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. 登録日 2023-06-06 公開日 2024-06-12 実験手法 X-RAY DIFFRACTION (2.84 Å) 主引用文献 Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor To Be Published
7OLU	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand 分子名称: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine, Lectin 著者 Bermeo, R, Varrot, A. 登録日 2021-05-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.793 Å) 主引用文献 Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin. Acs Chem.Biol., 17, 2022
5TWE	CTX-M-14 P167S:S70G mutant enzyme crystallized with ceftazidime 分子名称: ACYLATED CEFTAZIDIME, Beta-lactamase 著者 Patel, M, Stojanoski, V, Sankaran, B, Prasad, B.V.V, Palzkill, T. 登録日 2016-11-12 公開日 2017-06-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The Drug-Resistant Variant P167S Expands the Substrate Profile of CTX-M beta-Lactamases for Oxyimino-Cephalosporin Antibiotics by Enlarging the Active Site upon Acylation. Biochemistry, 56, 2017
6LO2	Crystal structure of EED in complex with EZH2 peptide and compound 11# 分子名称: 8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED 著者 Zhao, K, Zhao, M, Luo, X, Zhang, H, Chen, Z. 登録日 2020-01-02 公開日 2021-07-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structure of EED in complex with EZH2 peptide and cmpd20 To Be Published
7P7O	X-RAY CRYSTAL STRUCTURE OF SPOROSARCINA PASTEURII UREASE INHIBITED BY THE GOLD(I)-DIPHOSPHINE COMPOUND Au(PEt3)2Cl DETERMINED AT 1.87 ANGSTROMS 分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ... 著者 Mazzei, L, Ciurli, S, Cianci, M, Messori, L, Massai, L. 登録日 2021-07-20 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Medicinal Au(I) compounds targeting urease as prospective antimicrobial agents: unveiling the structural basis for enzyme inhibition. Dalton Trans, 50, 2021
5G6A	Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine 分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine, CHLORIDE ION, ... 著者 Holden, J.K, Poulos, T.L. 登録日 2016-06-18 公開日 2016-09-21 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry, 55, 2016
7M9F	Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261 分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide 著者 Kirby, K.A, Sarafianos, S.G. 登録日 2021-03-31 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation. Viruses, 13, 2021
5C4N	CobK precorrin-6A reductase 分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase 著者 Gu, S, Pickersgill, R.W. 登録日 2015-06-18 公開日 2015-12-09 最終更新日 2017-08-30 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Crystal structure of CobK To Be Published
5U3Q	Human PPARdelta ligand-binding domain in complexed with specific agonist 1 分子名称: 6-(2-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenoxy)hexanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. 登録日 2016-12-03 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8U91	Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, Orthorhombic P form) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, N-acetylneuraminate lyase 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-09-18 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, Orthorhombic P form) To be published
7OZX	Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone 分子名称: (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... 著者 Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. 登録日 2021-06-29 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone To Be Published
7V03	Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis 分子名称: CHLORIDE ION, triosephosphate isomerase 著者 Jones, G, Vickers, C, Patrick, W, Jameson, G. 登録日 2022-05-09 公開日 2023-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis To Be Published
7XYK	Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SULFATE ION, TOMUDEX, ... 著者 Ma, Q, Liu, C, Zang, K. 登録日 2022-06-01 公開日 2023-06-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.433 Å) 主引用文献 Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed To Be Published
8U9B	Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (Apo, P21 Form) 分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, ... 著者 Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-09-18 公開日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (Apo, P21 Form) To be published
7OMD	Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A 分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ... 著者 Schenkmayerova, A, Janin, Y.L, Marek, M. 登録日 2021-05-21 公開日 2022-06-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
8U92	Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form) 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2023-09-18 公開日 2023-09-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (pyruvate bound, Orthorhombic P form) To be published
8QJO	SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with guanosine-5'-monophosphate 分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... 著者 Adamkova, K, Koval, T, Kolenko, P, Dohnalek, J. 登録日 2023-09-13 公開日 2024-09-25 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Substrate preference, RNA binding and active site versatility of Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study. Febs J., 2024
7V0W	Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA 分子名称: ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Wu, S, Gabelli, S.B, Sohn, J. 登録日 2022-05-11 公開日 2023-05-17 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.66 Å) 主引用文献 The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS Nat Commun, 15, 2024

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