7P8C
 
 | | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with K+ | | 分子名称: | POTASSIUM ION, Receiver domain of histidine kinase 4 | | 著者 | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | | 登録日 | 2021-07-21 | | 公開日 | 2021-10-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula .
Front Plant Sci, 12, 2021
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6WHE
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7OOL
 | | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | | 登録日 | 2021-05-28 | | 公開日 | 2021-11-10 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression.
J.Mol.Biol., 433, 2021
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7OUB
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6WR1
 | | Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | | 分子名称: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | | 登録日 | 2020-04-29 | | 公開日 | 2021-05-05 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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6WR0
 | | Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | | 分子名称: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | | 登録日 | 2020-04-29 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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6WZP
 | | The crystal structure of 4-vinylbenzoate-bound T252A mutant CYP199A4 | | 分子名称: | 4-ethenylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Coleman, T, Bruning, J.B, Bell, S.G. | | 登録日 | 2020-05-14 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Understanding the Mechanistic Requirements for Efficient and Stereoselective Alkene Epoxidation by a Cytochrome P450 Enzyme
Acs Catalysis, 11, 2021
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6X0S
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6X0T
 | | Structure of human plasma factor XIIa in complex with (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 8h) | | 分子名称: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide, Coagulation factor XII, SULFATE ION | | 著者 | Orth, P. | | 登録日 | 2020-05-17 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.388 Å) | | 主引用文献 | Structure of human plasma factor XIIa in complex with (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 8h)
To Be Published
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6X3A
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6X39
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6WW0
 | | Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | | 分子名称: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Petrunak, E.M, Bart, A.G, Scott, E.E. | | 登録日 | 2020-05-07 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
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7P8R
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6X38
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7P6M
 | | Hydrogenated refolded hen egg-white lysozyme | | 分子名称: | ACETATE ION, Lysozyme C, NITRATE ION | | 著者 | Ramos, J, Laux, V, Haertlein, M, Forsyth, V.T, Mossou, E, Larsen, S, Langkilde, A.E. | | 登録日 | 2021-07-16 | | 公開日 | 2021-12-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | | 主引用文献 | The impact of folding modes and deuteration on the atomic resolution structure of hen egg-white lysozyme.
Acta Crystallogr D Struct Biol, 77, 2021
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7P6L
 | | Heme domain of CYP505A30, a fungal hydroxylase from Myceliophthora thermophila, bound to dodecanoic acid | | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, LAURIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Opperman, D.J, Aschenbrenner, J.C, Tolmie, C, Ebrecht, A.C. | | 登録日 | 2021-07-16 | | 公開日 | 2022-02-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structure of the fungal hydroxylase, CYP505A30, and rational transfer of mutation data from CYP102A1 to alter regioselectivity
Catalysis Science And Technology, 11, 2021
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6WIG
 | | Structure of STENOFOLIA Protein HD domain bound with DNA | | 分子名称: | DNA (5'-D(P*CP*TP*TP*GP*AP*AP*TP*AP*AP*AP*TP*CP*AP*TP*TP*AP*AP*TP*TP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*AP*AP*TP*GP*AP*TP*TP*TP*AP*TP*TP*CP*AP*AP*G)-3'), STENOFOLIA | | 著者 | Deng, J, Peng, S, Pathak, P. | | 登録日 | 2020-04-09 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of the unique tetrameric STENOFOLIA homeodomain bound with target promoter DNA.
Acta Crystallogr D Struct Biol, 77, 2021
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6WEB
 | | Multi-Hit SFX using MHz XFEL sources | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Holmes, S, Darmanin, C, Abbey, B. | | 登録日 | 2020-04-01 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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6WGO
 | | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | | 分子名称: | ACETATE ION, Lysozyme, SODIUM ION, ... | | 著者 | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | 登録日 | 2020-04-06 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021
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6WEC
 | | Multi-Hit SFX using MHz XFEL sources | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | 著者 | Holmes, S, Darmanin, C, Abbey, B. | | 登録日 | 2020-04-01 | | 公開日 | 2021-10-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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7OPM
 | | Phosphorylated ERK2 in complex with ORF45 | | 分子名称: | 1-[4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-1-phenylethyl]urea, GLYCEROL, Mitogen-activated protein kinase 1, ... | | 著者 | Sok, P, Remenyi, A, Alexa, A, Poti, A. | | 登録日 | 2021-06-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
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6WS4
 | | Crystal structure of KRAS-G12D/K104Q mutant, GDP-bound | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Tran, T.H, Simanshu, D.K. | | 登録日 | 2020-04-30 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Allosteric regulation of switch-II domain controls KRAS oncogenicity.
Cancer Res., 2023
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6WS2
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7OPO
 | | RSK2 N-terminal kinase domain in complex with ORF45 | | 分子名称: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein ORF45, Ribosomal protein S6 kinase alpha-3 | | 著者 | Sok, P, Remenyi, A, Alexa, A, Poti, A. | | 登録日 | 2021-06-01 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A non-catalytic herpesviral protein reconfigures ERK-RSK signaling by targeting kinase docking systems in the host.
Nat Commun, 13, 2022
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6X4X
 | | B24Y DKP insulin | | 分子名称: | Insulin, Insulin chain A | | 著者 | Weiss, M.A, Yang, Y. | | 登録日 | 2020-05-24 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Evolution of insulin at the edge of foldability and its medical implications.
Proc.Natl.Acad.Sci.USA, 117, 2020
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