PDB: 5653 件ウェブページステータス検索Chemie searchBIRD

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8R9S	A soakable crystal form of human CDK7 in complex with AMP-PNP 分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Cyclin-dependent kinase 7, DI(HYDROXYETHYL)ETHER, ... 著者 Mukherjee, M, Cleasby, A. 登録日 2023-11-30 公開日 2024-05-29 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 2024
8R9U	A soakable crystal form of human CDK7 in complex with AMP-PNP 分子名称: 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 著者 Mukherjee, M, Cleasby, A. 登録日 2023-11-30 公開日 2024-05-29 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (1.937 Å) 主引用文献 Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 2024
6Q48	CDK2 in complex with FragLite7 分子名称: 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.03 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6Q4H	CDK2 in complex with FragLite36 分子名称: 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6PTF	Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State 分子名称: UPF0284 protein MJ1598 著者 Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. 登録日 2019-07-15 公開日 2020-07-22 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (2.203 Å) 主引用文献 Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
1L2U	Orotidine 5'-monophosphate decarboxylase from E. coli 分子名称: Orotidine 5'-phosphate decarboxylase 著者 Harris, P, Poulsen, J.C, Jensen, K.F, Larsen, S. 登録日 2002-02-25 公開日 2002-03-13 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Substrate binding induces domain movements in orotidine 5'-monophosphate decarboxylase J.Mol.Biol., 18, 2002
6Q0V	Structure of DDB1-DDA1-DCAF15 complex bound to tasisulam and RBM39 分子名称: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... 著者 Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. 登録日 2019-08-02 公開日 2019-11-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
6Q4A	CDK2 in complex with FragLite14 分子名称: 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6Q4I	CDK2 in complex with FragLite35 分子名称: 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6Q4C	CDK2 in complex with FragLite16 分子名称: 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6Q4F	CDK2 in complex with FragLite32 分子名称: Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6PU6	CobT from Methanocaldococcus jannaschii in complex with Alpha-Ribozole 5'-Phosphate, Nicotinic Acid, and Nicotinic Acid Mononucleotide 分子名称: ALPHA-RIBAZOLE-5'-PHOSPHATE, NICOTINATE MONONUCLEOTIDE, NICOTINIC ACID, ... 著者 Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. 登録日 2019-07-17 公開日 2020-07-22 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (2.293 Å) 主引用文献 Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
6Q4E	CDK2 in complex with FragLite33 分子名称: 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6Q4K	CDK2 in complex with FragLite38 分子名称: (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
1I5O	CRYSTAL STRUCTURE OF MUTANT R105A OF E. COLI ASPARTATE TRANSCARBAMOYLASE 分子名称: ASPARTATE TRANSCARBAMOYLASE CATALYTIC CHAIN, ASPARTATE TRANSCARBAMOYLASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... 著者 Macol, C.P, Tsuruta, H, Stec, B, Kantrowitz, E.R. 登録日 2001-02-28 公開日 2001-05-02 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Direct structural evidence for a concerted allosteric transition in Escherichia coli aspartate transcarbamoylase. Nat.Struct.Biol., 8, 2001
6Q3F	CDK2 in complex with FragLite2 分子名称: 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-04 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.18 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6QF8	Solution NMR ensemble for human ubiquitin at 298K compiled using the CoMAND method 分子名称: Polyubiquitin-B 著者 ElGamacy, M, Truffault, V, Zhu, H, Coles, M. 登録日 2019-01-09 公開日 2019-04-10 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Mapping Local Conformational Landscapes of Proteins in Solution. Structure, 27, 2019
6Q4D	CDK2 in complex with FragLite31 分子名称: 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 著者 Wood, D.J, Martin, M.P, Noble, M.E.M. 登録日 2018-12-05 公開日 2019-03-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
6QFP	Solution NMR ensemble for MlbQ at 298K compiled using the CoMAND method 分子名称: Putative lipoprotein 著者 ElGamacy, M, Truffault, V, Zhu, H, Coles, M. 登録日 2019-01-10 公開日 2019-04-10 最終更新日 2019-05-15 実験手法 SOLUTION NMR 主引用文献 Mapping Local Conformational Landscapes of Proteins in Solution. Structure, 27, 2019
6QH2	Solution NMR ensemble for a chimeric KH-S1 domain construct of exosomal polynucleotide phosphrylase at 298K compiled using the CoMAND method 分子名称: Polyribonucleotide nucleotidyltransferase 著者 ElGamacy, M, Truffault, V, Zhu, H, Coles, M. 登録日 2019-01-14 公開日 2019-04-10 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Mapping Local Conformational Landscapes of Proteins in Solution. Structure, 27, 2019
7ZU9	CRYSTAL STRUCTURE OF THE C89A_C113A GMP SYNTHETASE INACTIVE DOUBLE MUTANT FROM PLASMODIUM FALCIPARUM 分子名称: Glutamine amidotransferase 著者 Ballut, L, Violot, S, Aghajari, N. 登録日 2022-05-11 公開日 2022-08-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Tertiary and Quaternary Structure Organization in GMP Synthetases: Implications for Catalysis. Biomolecules, 12, 2022
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
5XGO	The Ferritin E-Domain: Toward Understanding Its Role in Protein Cage Assembly Through the Crystal Structure of a Maxi-/Mini-Ferritin Chimera 分子名称: CHLORIDE ION, DNA protection during starvation protein,Bacterioferritin 著者 Cornell, T.A, Srivastava, Y, Jauch, R, Fan, R, Orner, B.P. 登録日 2017-04-14 公開日 2018-02-28 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 The Crystal Structure of a Maxi/Mini-Ferritin Chimera Reveals Guiding Principles for the Assembly of Protein Cages. Biochemistry, 56, 2017
8QM0	Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with Peptide 5 分子名称: ALA-LYS-THR-ILE-LYS-ILE-THR-GLN-THR-ARG, Oligopeptide-binding protein AmiA 著者 Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. 登録日 2023-09-20 公開日 2024-05-22 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
2ORU	Solution structure of xtz1-peptide, a beta-hairpin peptide with a structured extension 分子名称: xtz1-peptide 著者 Campbell, R.E. 登録日 2007-02-04 公開日 2007-05-22 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 In Vivo Screening Identifies a Highly Folded beta-Hairpin Peptide with a Structured Extension. Chembiochem, 8, 2007

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