PDB: 5751 件ウェブページステータス検索Chemie searchBIRD

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7JZU	SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, Spike glycoprotein 著者 Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2020-09-02 公開日 2020-09-23 最終更新日 2020-11-04 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 De novo design of picomolar SARS-CoV-2 miniprotein inhibitors. Science, 370, 2020
8YE0	Crystal structure of KgpF prenyltransferase 分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ... 著者 Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T. 登録日 2024-02-21 公開日 2024-06-19 最終更新日 2024-09-11 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands. Angew.Chem.Int.Ed.Engl., 63, 2024
4N5R	Hen egg-white lysozyme phased using free-electron laser data 分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, Lysozyme C 著者 Barends, T.R.M, Foucar, L, Botha, S, Doak, R.B, Shoeman, R.L, Nass, K, Koglin, J.E, Williams, G.J, Boutet, S, Messerschmidt, M, Schlichting, I. 登録日 2013-10-10 公開日 2013-11-27 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 De novo protein crystal structure determination from X-ray free-electron laser data. Nature, 505, 2014
6N80	S. aureus ClpP bound to anti-4a 分子名称: ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide 著者 Lee, R.E, Griffith, E.C. 登録日 2018-11-28 公開日 2019-06-26 最終更新日 2019-12-18 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX. J.Med.Chem., 62, 2019
6TWB	Crystal Structure of the Catalytic Domain of Coagulation Factor XIa in Complex with Double Bridged Peptide F19 分子名称: AMMONIUM ION, Coagulation factor XI, Double Bridged Peptide F19 著者 Kong, X.D, Pojer, F, Heinis, C. 登録日 2020-01-13 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.91 Å) 主引用文献 De novo development of proteolytically resistant therapeutic peptides for oral administration. Nat Biomed Eng, 4, 2020
6TWC	Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Double Bridged Peptide F21 分子名称: ACETONE, Coagulation factor XI, Double Bridged Peptide F21 著者 Kong, X.D, Pojer, F, Heinis, C. 登録日 2020-01-13 公開日 2020-05-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 De novo development of proteolytically resistant therapeutic peptides for oral administration. Nat Biomed Eng, 4, 2020
4FIC	Kinase domain of cSrc in complex with a hinge region-binding fragment 分子名称: 6-phenyl[1,2,4]triazolo[1,5-a]pyrazin-2-amine, Proto-oncogene tyrosine-protein kinase Src 著者 Richters, A, Rauh, D. 登録日 2012-06-08 公開日 2013-04-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments. Acs Chem.Biol., 8, 2013
7XZR	Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex 分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ... 著者 Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. 登録日 2022-06-03 公開日 2022-10-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
7XZQ	Crystal structure of TNIK-thiopeptide TP1 complex 分子名称: 1,4-BUTANEDIOL, TRAF2 and NCK-interacting protein kinase, thiopeptide TP1 著者 Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T. 登録日 2022-06-03 公開日 2022-10-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors. J.Am.Chem.Soc., 144, 2022
2KI0	NMR Structure of a de novo designed beta alpha beta 分子名称: DS119 著者 Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L. 登録日 2009-04-18 公開日 2009-10-20 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 De novo design of a beta alpha beta motif. Angew.Chem.Int.Ed.Engl., 48, 2009
8W0Q	Pembrolizumab CDR-H3 Loop Mimic 分子名称: Pembrolizumab CDR-H3 Loop Mimic 著者 Feig, M, Roche, S.P. 登録日 2024-02-14 公開日 2024-07-03 最終更新日 2024-07-31 実験手法 SOLUTION NMR 主引用文献 De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics. Acs Chem.Biol., 19, 2024
3ZFS	Cryo-EM structure of the F420-reducing NiFe-hydrogenase from a methanogenic archaeon with bound substrate 分子名称: CARBONMONOXIDE-(DICYANO) IRON, COENZYME F420, F420-REDUCING HYDROGENASE, ... 著者 Mills, D.J, Vitt, S, Strauss, M, Shima, S, Vonck, J. 登録日 2012-12-12 公開日 2013-03-06 最終更新日 2024-05-08 実験手法 ELECTRON MICROSCOPY (4 Å) 主引用文献 De Novo Modeling of the F420-Reducing [Nife]-Hydrogenase from a Methanogenic Archaeon by Cryo-Electron Microscopy Elife, 2, 2013
1O6J	Tryparedoxin II from C.fasciculata solved by sulphur phasing 分子名称: TRYPAREDOXIN II 著者 Leonard, G.A, Micossi, E, Hunter, W.N. 登録日 2002-10-04 公開日 2002-11-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures Acta Crystallogr.,Sect.D, 58, 2002
1O81	Tryparedoxin II from C.fasciculata solved by sulphur phasing 分子名称: SULFATE ION, TRYPAREDOXIN II 著者 Leonard, G.A, Micossi, E, Hunter, W.N. 登録日 2002-11-21 公開日 2002-12-19 最終更新日 2019-10-09 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 De Novo Phasing of Two Crystal Forms of Tryparedoxin II Using the Anomalous Scattering from S Atoms: A Combination of Small Signal and Medium Resolution Reveals This to be a General Tool for Solving Protein Crystal Structures Acta Crystallogr.,Sect.D, 58, 2002
3C9V	C7 Symmetrized Structure of Unliganded GroEL at 4.7 Angstrom Resolution from CryoEM 分子名称: 60 kDa chaperonin 著者 Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. 登録日 2008-02-18 公開日 2008-09-02 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (4.7 Å) 主引用文献 De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy. Structure, 16, 2008
3CAU	D7 symmetrized structure of unliganded GroEL at 4.2 Angstrom resolution by cryoEM 分子名称: 60 kDa chaperonin 著者 Ludtke, S.J, Baker, M.L, Chen, D.H, Song, J.L, Chuang, D, Chiu, W. 登録日 2008-02-20 公開日 2008-09-02 最終更新日 2024-02-21 実験手法 ELECTRON MICROSCOPY (4.2 Å) 主引用文献 De Novo Backbone Trace of GroEL from Single Particle Electron Cryomicroscopy. Structure, 16, 2008
4QKR	Crystal Structure of 6xTyr/PV2: de novo designed beta-trefoil architecture with symmetric primary structure (L22Y/L44Y/L64Y/L85Y/L108Y/L132Y, Primitive Version 2) 分子名称: DE NOVO PROTEIN 6XTYR/PV2, IMIDAZOLE 著者 Longo, L.M, Blaber, M, Tenorio, C.A. 登録日 2014-06-09 公開日 2015-01-14 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.746 Å) 主引用文献 A single aromatic core mutation converts a designed "primitive" protein from halophile to mesophile folding. Protein Sci., 24, 2015
7DMF	A de novo protein that rigidly extends the structure of tVHS-like domain in tepsin with a new designed domain 分子名称: Designed protein EXTD-3 著者 Xu, Y. 登録日 2020-12-03 公開日 2021-12-08 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
8UJA	T33-fn10 - Designed Tetrahedral Protein Cage Using Fragment-based Hydrogen Bond Networks 分子名称: T33-fn10: engineered DrsE like sulfur reductase, T33-fn10: engineered enoyl-CoA hydratase/isomerase 著者 Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-11 公開日 2024-03-06 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (6 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024
7FBD	De novo design protein D53 with MBP tag 分子名称: Maltodextrin-binding protein,De novo design protein D53 著者 Bin, H. 登録日 2021-07-09 公開日 2021-12-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
7FBB	De novo design protein D12 with MBP tag 分子名称: Maltodextrin-binding protein,de novo designed protein D12 著者 Bin, H. 登録日 2021-07-09 公開日 2021-12-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.307 Å) 主引用文献 A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
7FBC	De novo design protein D22 with MBP tag 分子名称: Maltodextrin-binding protein,De novo design protein D22 著者 Bin, H. 登録日 2021-07-09 公開日 2021-12-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
2HZ8	QM/MM structure refined from NMR-structure of a single chain diiron protein 分子名称: De novo designed diiron protein, ZINC ION 著者 Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. 登録日 2006-08-08 公開日 2007-07-17 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
8UMP	T33-ml35 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms 分子名称: T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold 著者 Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-18 公開日 2023-11-15 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.92 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024
8UF0	T33-ml23 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms 分子名称: T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold 著者 Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. 登録日 2023-10-03 公開日 2023-11-15 最終更新日 2024-06-19 実験手法 ELECTRON MICROSCOPY (2.02 Å) 主引用文献 A suite of designed protein cages using machine learning and protein fragment-based protocols. Structure, 32, 2024

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