PDB: 5515 件ウェブページステータス検索Chemie searchBIRD

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6FNX	FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1 分子名称: 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4 著者 Raux, B, Betzi, S. 登録日 2018-02-05 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach. J. Med. Chem., 61, 2018
7AM5	Crystal structure of Peptiligase mutant - L217H/M222P/A225N 分子名称: SODIUM ION, Subtilisin BPN' 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2021-03-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
3J7N	Virus model of brome mosaic virus (second half data set) 分子名称: Capsid protein 著者 Wang, Z, Hryc, C, Bammes, B, Afonine, P.V, Jakana, J, Chen, D.H, Liu, X, Baker, M.L, Kao, C, Ludtke, S.J, Schmid, M.F, Adams, P.D, Chiu, W. 登録日 2014-07-18 公開日 2014-09-10 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 An atomic model of brome mosaic virus using direct electron detection and real-space optimization. Nat Commun, 5, 2014
3J7L	Full virus map of brome mosaic virus 分子名称: Capsid protein 著者 Wang, Z, Hryc, C, Bammes, B, Afonine, P.V, Jakana, J, Chen, D.H, Liu, X, Baker, M.L, Kao, C, Ludtke, S.J, Schmid, M.F, Adams, P.D, Chiu, W. 登録日 2014-07-18 公開日 2014-09-10 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 An atomic model of brome mosaic virus using direct electron detection and real-space optimization. Nat Commun, 5, 2014
5RG8	Crystal Structure of Kemp Eliminase HG3.17 in unbound state, 277K 分子名称: ACETATE ION, Kemp Eliminase HG3 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RG6	Crystal Structure of Kemp Eliminase HG3.7 in unbound state, 277K 分子名称: Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RG5	Crystal Structure of Kemp Eliminase HG3.3b in unbound state, 277K 分子名称: ACETATE ION, Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RG7	Crystal Structure of Kemp Eliminase HG3.14 in unbound state, 277K 分子名称: Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGE	Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGB	Crystal Structure of Kemp Eliminase HG3.3b with bound transition state analogue, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.3b, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGD	Crystal Structure of Kemp Eliminase HG3.14 with bound transition state analogue, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.14, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RG4	Crystal Structure of Kemp Eliminase HG3 in unbound state, 277K 分子名称: ACETATE ION, Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGC	Crystal Structure of Kemp Eliminase HG3.7 with bound transition state analogue, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGA	Crystal Structure of Kemp Eliminase HG3 with bound transition state analogue, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RGF	Crystal Structure of Kemp Eliminase HG4 with bound transition state analogue, 277K 分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
5RG9	Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K 分子名称: ACETATE ION, Kemp Eliminase HG4, SULFATE ION 著者 Broom, A, Rakotoharisoa, R.V, Thompson, M.C, Fraser, J.S, Chica, R.A. 登録日 2020-03-19 公開日 2020-07-22 最終更新日 2021-05-12 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Ensemble-based enzyme design can recapitulate the effects of laboratory directed evolution in silico. Nat Commun, 11, 2020
8ATJ	Crystal Structure of Shank2-SAM domain 分子名称: CHLORIDE ION, FORMIC ACID, Isoform 4 of SH3 and multiple ankyrin repeat domains protein 2, ... 著者 Bento, I, Gracia Alai, M, Kreienkamp, J.-H. 登録日 2022-08-23 公開日 2022-11-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.117 Å) 主引用文献 Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans. Mol Psychiatry, 2022
8B10	Crystal Structure of Shank2-SAM mutant domain - L1800W 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Bento, I, Gracia Alai, M, Kreienkamp, J.-H. 登録日 2022-09-08 公開日 2022-11-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans. Mol Psychiatry, 2022
6WL7	Cryo-EM of Form 2 like peptide filament, 29-20-2 分子名称: peptide 29-20-2 著者 Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. 登録日 2020-04-18 公開日 2020-12-02 最終更新日 2024-03-06 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials. Nat Commun, 12, 2021
7AM3	Crystal structure of Peptiligase mutant - M222P 分子名称: GLYCEROL, SULFATE ION, Subtilisin BPN' 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
7AM6	Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W 分子名称: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ... 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
7AM8	Crystal structure of Omniligase mutant W189F 分子名称: ACRYLIC ACID, CHLORIDE ION, HISTIDINE, ... 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
7AM4	Crystal structure of Peptiligase mutant - L217H/M222P 分子名称: GLYCEROL, SULFATE ION, Subtilisin BPN' 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
7AM7	Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D 分子名称: Eglin C fragment, GLYCEROL, SULFATE ION, ... 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.61 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
5K2H	Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED 分子名称: Eukaryotic peptide chain release factor GTP-binding subunit 著者 Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. 登録日 2016-05-18 公開日 2016-09-14 最終更新日 2024-03-06 実験手法 ELECTRON CRYSTALLOGRAPHY (1.05 Å) 主引用文献 Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED. Proc.Natl.Acad.Sci.USA, 113, 2016

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