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

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6Q3C	CDK2 in complex with FragLite1 分子名称: 4-bromo-1H-pyrazole, 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 (1.29 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
6Q3B	CDK2 in complex with FragLite2 分子名称: 4-IODOPYRAZOLE, 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 (1.11 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
6Q49	CDK2 in complex with FragLite6 分子名称: 4-bromanyl-1~{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 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
6Q4G	CDK2 in complex with FragLite37 分子名称: 2-[3-(2-azanyl-9~{H}-purin-6-yl)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 (0.98 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
4EXB	Putative aldo-keto reductase from Pseudomona aeruginosa 分子名称: Putative uncharacterized protein 著者 Schnell, R, Schneider, G, Sandalova, T. 登録日 2012-04-30 公開日 2013-01-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery. Acta Crystallogr.,Sect.F, 69, 2013
4ES6	Crystal structure of HemD (PA5259) from Pseudomonas aeruginosa (PAO1) at 2.22 A resolution 分子名称: CHLORIDE ION, Uroporphyrinogen-III synthase 著者 Schnell, R, Schneider, G. 登録日 2012-04-22 公開日 2013-01-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 The AEROPATH project targeting Pseudomonas aeruginosa: crystallographic studies for assessment of potential targets in early-stage drug discovery. Acta Crystallogr.,Sect.F, 69, 2013
6PT8	Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid 分子名称: ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... 著者 Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, 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 (1.4 Å) 主引用文献 Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria. Sci Rep, 12, 2022
2LGI	Atomic Resolution Protein Structures using NMR Chemical Shift Tensors 分子名称: Immunoglobulin G-binding protein G 著者 Wylie, B.J, Sperling, L.J, Nieuwkoop, A.J, Franks, W.T, Oldfield, E, Rienstra, C.M. 登録日 2011-07-26 公開日 2011-10-26 最終更新日 2024-05-01 実験手法 SOLID-STATE NMR 主引用文献 Ultrahigh resolution protein structures using NMR chemical shift tensors. Proc.Natl.Acad.Sci.USA, 108, 2011
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
2LHG	GB98-T25I solution structure 分子名称: GB98 著者 He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. 登録日 2011-08-08 公開日 2012-02-29 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
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
2LHC	Ga98 solution structure 分子名称: Ga98 著者 He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. 登録日 2011-08-08 公開日 2012-02-29 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
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
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
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
2LDD	Solution structure of the estrogen receptor-binding stapled peptide SP6 (Ac-EKHKILXRLLXDS-NH2) 分子名称: Estrogen receptor-binding stapled peptide SP6 著者 Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. 登録日 2011-05-21 公開日 2011-07-06 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
4FZB	Structure of thymidylate synthase ThyX complexed to a new inhibitor 分子名称: 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Basta, T, Boum, Y, Briffotaux, J, Becker, H.F, Lamarre-Jouenne, I, Lambry, J.C, Skouloubris, S, Liebl, U, van Tilbeurgh, H, Graille, M, Myllylkallio, H. 登録日 2012-07-06 公開日 2013-05-22 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.59 Å) 主引用文献 Mechanistic and structural basis for inhibition of thymidylate synthase ThyX. Open Biology, 2, 2012
2LHD	GB98 solution structure 分子名称: GB98 著者 He, Y, Chen, Y, Alexander, P, Bryan, P, Orban, J. 登録日 2011-08-08 公開日 2012-02-29 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Mutational tipping points for switching protein folds and functions. Structure, 20, 2012
2LDA	Solution structure of the estrogen receptor-binding stapled peptide SP2 (Ac-HKXLHQXLQDS-NH2) 分子名称: Estrogen receptor-binding stapled peptide SP2 著者 Phillips, C, Bazin, R, Bent, A, Davies, N, Moore, R, Pannifer, A, Pickford, A, Prior, S, Read, C, Roberts, L, Schade, M, Scott, A, Brown, D, Xu, B, Irving, S. 登録日 2011-05-20 公開日 2011-07-06 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 Design and structure of stapled peptides binding to estrogen receptors. J.Am.Chem.Soc., 133, 2011
4DOL	Crystal structure of Arabidopsis thaliana fatty-acid binding protein At1g53520 (AtFAP3) 分子名称: At1g53520, PALMITIC ACID 著者 Noel, J.P, Louie, G.V, Bowman, M.E. 登録日 2012-02-09 公開日 2012-05-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Evolution of the chalcone-isomerase fold from fatty-acid binding to stereospecific catalysis. Nature, 485, 2012
6QXH	Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with dUMP 分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Pozzi, C, Mangani, M. 登録日 2019-03-07 公開日 2019-04-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Structural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities. Molecules, 24, 2019
2LWV	NMR solution structure of PawS Derived Peptide 6 (PDP-6) 分子名称: PawS Derived Peptide 6 (PDP-6) 著者 Elliott, A.G, Mylne, J.S, Rosengren, K. 登録日 2012-08-06 公開日 2013-08-21 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Evolutionary origins of a bioactive peptide buried within Preproalbumin. Plant Cell, 26, 2014

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