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

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4R80	Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486 分子名称: OR486 著者 Guan, R, Marcos, E, O'Connell, P, Seetharaman, J, Janjua, H, Xiao, R, Maglaqui, M, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2014-08-29 公開日 2014-09-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.445 Å) 主引用文献 Crystal Structure of an engineered protein with denovo beta sheet design, Northeast Structural Genomics Consortium (NESG) Target OR486 To be Published
6GFW	Cryo-EM structure of bacterial RNA polymerase-sigma54 holoenzyme initial transcribing complex 分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... 著者 Glyde, R, Ye, F.Z, Zhang, X.D. 登録日 2018-05-02 公開日 2018-07-04 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Structures of Bacterial RNA Polymerase Complexes Reveal the Mechanism of DNA Loading and Transcription Initiation. Mol. Cell, 70, 2018
8P4Y	Coiled-coil protein origami triangle 分子名称: GLYCEROL, Protein origami triangle 著者 Satler, T, Hadzi, S, Jerala, R. 登録日 2023-05-23 公開日 2023-08-02 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.052 Å) 主引用文献 Crystal Structure of de Novo Designed Coiled-Coil Protein Origami Triangle. J.Am.Chem.Soc., 145, 2023
1D3G	HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH BREQUINAR ANALOG 分子名称: 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... 著者 Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. 登録日 1999-09-29 公開日 2000-09-13 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des., 8, 2000
1D3H	HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726 分子名称: (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ... 著者 Liu, S, Neidhardt, E.A, Grossman, T.H, Ocain, T, Clardy, J. 登録日 1999-09-29 公開日 2000-08-13 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structures of human dihydroorotate dehydrogenase in complex with antiproliferative agents. Structure Fold.Des., 8, 2000
7N1J	Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder 分子名称: Binder, Fibroblast growth factor receptor 4 著者 Park, J.S, Lee, S. 登録日 2021-05-27 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
6M6Z	A de novo designed transmembrane nanopore, TMH4C4 分子名称: TMH4C4 著者 Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D. 登録日 2020-03-16 公開日 2020-06-24 最終更新日 2024-03-27 実験手法 ELECTRON MICROSCOPY (5.9 Å) 主引用文献 Computational design of transmembrane pores. Nature, 585, 2020
1QP6	SOLUTION STRUCTURE OF ALPHA2D 分子名称: PROTEIN (ALPHA2D) 著者 Hill, R.B, DeGrado, W.F. 登録日 1999-06-01 公開日 1999-06-09 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Solution Structure of Alpha2D, A Nativelike De Novo Designed Protein J.Am.Chem.Soc., 120, 1998
1I4U	THE C1 SUBUNIT OF ALPHA-CRUSTACYANIN 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN, SULFATE ION 著者 Gordon, E.J, Leonard, G.A, McSweeney, S, Zagalsky, P.F. 登録日 2001-02-23 公開日 2001-09-19 最終更新日 2017-10-04 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 The C1 subunit of alpha-crustacyanin: the de novo phasing of the crystal structure of a 40 kDa homodimeric protein using the anomalous scattering from S atoms combined with direct methods. Acta Crystallogr.,Sect.D, 57, 2001
7DNS	Crystal structure of domain-swapped dimer of H5_Fold-0 Elsa; de novo designed protein with an asymmetric all-alpha topology 分子名称: GLYCEROL, de novo designed protein 著者 Suzuki, K, Kobayashi, N, Murata, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. 登録日 2020-12-10 公開日 2021-07-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.327 Å) 主引用文献 Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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
7WCQ	Crystal structure of HIV-1 protease in complex with lactam derivative 1 分子名称: (3R,4R)-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(4-methylsulfonylphenyl)-4-oxidanyl-pyrrolidin-2-one, Protease 著者 Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakasa-Morimoto, C, Tachibana, Y, Fumoto, M. 登録日 2021-12-20 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.011 Å) 主引用文献 Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. J.Med.Chem., 65, 2022
7WBS	Crystal structure of HIV-1 protease in complex with lactam derivative 2 分子名称: (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease 著者 Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. 登録日 2021-12-17 公開日 2022-11-02 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template. J.Med.Chem., 65, 2022
7Y3N	Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ... 著者 Rao, X, Chai, Y, Wu, Y, Gao, F. 登録日 2022-06-11 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.97 Å) 主引用文献 Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
7Y3O	Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ... 著者 Rao, X, Gao, F, Wu, Y, Gao, F. 登録日 2022-06-11 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
5LKA	Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution 分子名称: Haloalkane dehalogenase, THIOCYANATE ION 著者 Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. 登録日 2016-07-21 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 Engineering a de novo transport tunnel. Acs Catalysis, 2016
7LDF	High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein 分子名称: Minimal thioredoxin fold protein, ems_thioM_802 著者 Urbauer, J.L, Strauch, E.M. 登録日 2021-01-13 公開日 2022-07-13 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Sampling of structure and sequence space of small protein folds. Nat Commun, 13, 2022
5LY1	JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer) 分子名称: CHLORIDE ION, CP2, GLYCEROL, ... 著者 King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J. 登録日 2016-09-23 公開日 2017-04-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Highly selective inhibition of histone demethylases by de novo macrocyclic peptides. Nat Commun, 8, 2017
5LY2	JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer) 分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ... 著者 Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J. 登録日 2016-09-23 公開日 2017-04-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Highly selective inhibition of histone demethylases by de novo macrocyclic peptides. Nat Commun, 8, 2017
3A7E	Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol 分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... 著者 Tsuji, E. 登録日 2009-09-26 公開日 2010-09-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs To be Published
3A7D	Crystal Structures of rat Catechol-O-Methyltransferase complexed with new bi-substrate type inhibitor 分子名称: 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine, Catechol O-methyltransferase, MAGNESIUM ION, ... 著者 Tsuji, E. 登録日 2009-09-26 公開日 2010-09-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 2: Ligand Fishing using Mass Spectrometry by Detection of Ligand-Protein Non-Covalent Complex after Matrix Click Chemistry To be Published
7UBF	Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%) 分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU 著者 Ramelot, T.A, Tejero, R, Montelione, G.T. 登録日 2022-03-14 公開日 2022-09-14 最終更新日 2022-09-28 実験手法 SOLUTION NMR 主引用文献 Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
7UBD	Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation) 分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA 著者 Ramelot, T.A, Tejero, R, Montelione, G.T. 登録日 2022-03-14 公開日 2022-09-14 最終更新日 2022-09-28 実験手法 SOLUTION NMR 主引用文献 Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
7UBI	Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%) 分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU 著者 Ramelot, T.A, Tejero, R, Montelione, G.T. 登録日 2022-03-14 公開日 2022-09-14 最終更新日 2022-09-28 実験手法 SOLUTION NMR 主引用文献 Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
7UZL	Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation) 分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE 著者 Ramelot, T.A, Tejero, R, Montelione, G.T. 登録日 2022-05-09 公開日 2022-09-14 最終更新日 2022-09-28 実験手法 SOLUTION NMR 主引用文献 Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022

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