PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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6BLW	Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ... 著者 Horton, J.R, Cheng, X. 登録日 2017-11-11 公開日 2018-01-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.835 Å) 主引用文献 Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
9J2Y	Human cGAS catalytic domain bound with G150 分子名称: 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION 著者 Zhao, W.F, Li, M.J, Xu, Y.C. 登録日 2024-08-07 公開日 2025-06-04 最終更新日 2025-09-10 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 De novo design of protein condensation inhibitors by targeting an allosteric site of cGAS. Nat Commun, 16, 2025
6ML1	Structure of the USP15 deubiquitinase domain in complex with an affinity-matured inhibitory Ubv 分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. 登録日 2018-09-26 公開日 2019-01-23 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
7BZY	Hsp21-DXPS 分子名称: 1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic, Heat shock protein 21 著者 Lau, W.C.Y. 登録日 2020-04-29 公開日 2021-07-28 最終更新日 2024-05-29 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structural basis of substrate recognition and thermal protection by a small heat shock protein. Nat Commun, 12, 2021
6BLA	Structure of AMM01 Fab, an anti EBV gH/gL neutralizing antibody 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMM01 Fab Heavy chain, ... 著者 Pancera, M, Weidle, C, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2017-11-09 公開日 2018-04-25 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 An Antibody Targeting the Fusion Machinery Neutralizes Dual-Tropic Infection and Defines a Site of Vulnerability on Epstein-Barr Virus. Immunity, 48, 2018
1O98	1.4A CRYSTAL STRUCTURE OF PHOSPHOGLYCERATE MUTASE FROM BACILLUS STEAROTHERMOPHILUS COMPLEXED WITH 2-PHOSPHOGLYCERATE 分子名称: 2,3-BISPHOSPHOGLYCERATE-INDEPENDENT PHOSPHOGLYCERATE MUTASE, 2-PHOSPHOGLYCERIC ACID, MANGANESE (II) ION, ... 著者 Rigden, D.J, Lamani, E, Littlejohn, J.E, Jedrzejas, M.J. 登録日 2002-12-11 公開日 2003-05-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Insights Into the Catalytic Mechanism of Cofactor-Independent Phosphoglycerate Mutase from X-Ray Crystallography, Simulated Dynamics and Molecular Modeling J.Mol.Biol., 328, 2003
6S9K	Structure of 14-3-3 gamma in complex with caspase-2 peptide containing 14-3-3 binding motif Ser139 and NLS 分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, 14-3-3 protein gamma, Caspase-2 著者 Alblova, M, Obsil, T, Obsilova, V. 登録日 2019-07-15 公開日 2020-01-22 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 14-3-3 protein binding blocks the dimerization interface of caspase-2. Febs J., 287, 2020
6SQB	Crystal structure of M. tuberculosis InhA in complex with NAD+ and 3-(3-chlorophenyl)propanoic acid 分子名称: 3-(3-chlorophenyl)propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. 登録日 2019-09-03 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.774 Å) 主引用文献 Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
6BII	Crystal Structure of Pyrococcus yayanosii Glyoxylate Hydroxypyruvate Reductase in complex with NADP and malonate (re-refinement of 5AOW) 分子名称: GLYCEROL, Glyoxylate reductase, MALONATE ION, ... 著者 Lassalle, L, Shabalin, I.G, Girard, E, Minor, W. 登録日 2017-11-02 公開日 2018-01-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 New insights into the mechanism of substrates trafficking in Glyoxylate/Hydroxypyruvate reductases. Sci Rep, 6, 2016
5AOP	SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1 分子名称: IRON/SULFUR CLUSTER, POTASSIUM ION, SIROHEME, ... 著者 Crane, B.R, Getzoff, E.D. 登録日 1997-07-10 公開日 1998-01-14 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
6SDR	W-formate dehydrogenase from Desulfovibrio vulgaris - Oxidized form 分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, alpha subunit, ... 著者 Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C. 登録日 2019-07-29 公開日 2020-03-11 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Towards the mechanistic understanding of enzymatic CO2 reduction Acs Catalysis, 2020
5G2H	S. enterica HisA with mutation L169R 分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, GLYCEROL, SODIUM ION, ... 著者 Newton, M, Guo, X, Soderholm, A, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M. 登録日 2016-04-08 公開日 2017-04-19 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8K5N	Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy 分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1 著者 Cheng, Y, Xiao, Y.B. 登録日 2023-07-22 公開日 2024-01-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy. J.Med.Chem., 66, 2023
7ZL2	Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810 分子名称: (3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid, T-box transcription factor T 著者 Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. 登録日 2022-04-13 公開日 2022-06-22 最終更新日 2025-02-26 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy. Nat Commun, 16, 2025
3WSV	Crystal structure of minor L-lactate dehydrogenase from Enterococcus mundtii in the ligands-unbound form 分子名称: GLYCEROL, L-lactate dehydrogenase 著者 Matoba, Y, Sugiyama, M. 登録日 2014-03-27 公開日 2014-09-10 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 An alternative allosteric regulation mechanism of an acidophilic l-lactate dehydrogenase from Enterococcus mundtii 15-1A. Febs Open Bio, 4, 2014
6ITC	Structure of a substrate engaged SecA-SecY protein translocation machine 分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... 著者 Ma, C.Y, Wu, X.F, Sun, D.J, Park, E.Y, Rapoport, T.A, Gao, N, Long, L. 登録日 2018-11-21 公開日 2019-06-12 最終更新日 2025-06-25 実験手法 ELECTRON MICROSCOPY (3.45 Å) 主引用文献 Structure of the substrate-engaged SecA-SecY protein translocation machine. Nat Commun, 10, 2019
7YD9	Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.748 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
1L7D	Crystal Structure of R. rubrum Transhydrogenase Domain I without Bound NAD(H) 分子名称: nicotinamide nucleotide Transhydrogenase, subunit alpha 1 著者 Prasad, G.S, Wahlberg, M, Sridhar, V, Yamaguchi, M, Hatefi, Y, Stout, C.D. 登録日 2002-03-14 公開日 2002-11-20 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Crystal Structures of Transhydrogenase Domain I with and without Bound NADH Biochemistry, 41, 2002
7YDA	Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.557 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YDB	Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.472 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YDC	Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.609 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YDE	Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-04 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.789 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
9JFC	Crystal structure of Pseudomonas aeruginosa SuhB complexed with Gallic acid in monoclinic space group 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,4,5-trihydroxybenzoic acid, GLYCEROL, ... 著者 Yadav, V.K, Shukla, M, Maji, S, Bhattacharyya, S. 登録日 2024-09-04 公開日 2025-09-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of Pseudomonas aeruginosa SuhB complexed with Gallic acid in monoclinic space group To Be Published
7YFT	Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine 分子名称: (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, 2,3-dihydro-1H-indene, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-09 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
7YJE	Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion 分子名称: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, ACETATE ION, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. 登録日 2022-07-20 公開日 2023-05-24 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023

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