PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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5NO7	Crystal Structure of a Xylan-active Lytic Polysaccharide Monooxygenase from Pycnoporus coccineus. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lytic polysaccharide monooxygenase, SULFATE ION, ... 著者 Ladeveze, S, Couturier, M, Sulzenbacher, G, Berrin, J.-G. 登録日 2017-04-11 公開日 2018-01-17 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.01 Å) 主引用文献 Lytic xylan oxidases from wood-decay fungi unlock biomass degradation. Nat. Chem. Biol., 14, 2018
6DKV	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 21 round 5 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, DI(HYDROXYETHYL)ETHER, Kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2018-05-30 公開日 2018-08-01 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
5D2T	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 3 Wild Type 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, De novo designed kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2015-08-06 公開日 2016-09-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type To Be Published
3D75	Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, at pH 5.5 分子名称: N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 著者 Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. 登録日 2008-05-20 公開日 2009-05-26 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
2YE5	HSP90 inhibitors and drugs from fragment and virtual screening 分子名称: 5-METHOXY-BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA 著者 Roughley, S.D, Hubbard, R.E, Baker, L.M. 登録日 2011-03-25 公開日 2011-06-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90. J.Med.Chem., 54, 2011
8SY8	Crystal structure of TsaC 分子名称: 4-formylbenzenesulfonate dehydrogenase TsaC 著者 Boggs, D.G, Tian, J, Bridwell-Rabb, J. 登録日 2023-05-24 公開日 2023-09-20 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 The NADH recycling enzymes TsaC and TsaD regenerate reducing equivalents for Rieske oxygenase chemistry. J.Biol.Chem., 299, 2023
5D2W	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, De novo designed kemp eliminase KE07 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2015-08-06 公開日 2016-09-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.66 Å) 主引用文献 evolutionary changes in Kemp Eliminase KE07 - Crystal 5 Wild Type To Be Published
4WHS	4-fluorocatechol bound to Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 分子名称: 4-fluorobenzene-1,2-diol, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... 著者 Knoot, C.J, Purpero, V.M, Lipscomb, J.D. 登録日 2014-09-23 公開日 2014-12-31 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase. Proc.Natl.Acad.Sci.USA, 112, 2015
8OQT	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-91 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-bromanylbenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.62 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQS	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-83 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-phenylbenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQV	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-109 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-nitrobenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.78 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQR	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-80 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-cyanobenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQU	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-92 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 4-chloranylbenzenesulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
4Q03	Second-site screening of K-Ras in the presence of covalently attached first-site ligands 分子名称: 4-bromobenzenethiol, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. 登録日 2014-03-31 公開日 2014-09-10 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.201 Å) 主引用文献 A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
1BH9	HTAFII18/HTAFII28 HETERODIMER CRYSTAL STRUCTURE WITH BOUND PCMBS 分子名称: PARA-MERCURY-BENZENESULFONIC ACID, TAFII18, TAFII28 著者 Birck, C, Poch, O, Romier, C, Ruff, M, Mengus, G, Lavigne, A.-C, Davidson, I, Moras, D. 登録日 1998-06-16 公開日 1999-06-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Human TAF(II)28 and TAF(II)18 interact through a histone fold encoded by atypical evolutionary conserved motifs also found in the SPT3 family. Cell(Cambridge,Mass.), 94, 1998
7BRV	Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) 分子名称: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... 著者 Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. 登録日 2020-03-30 公開日 2020-08-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
7BS3	Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo) 分子名称: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... 著者 Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. 登録日 2020-03-30 公開日 2020-08-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
6CT3	Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ... 著者 Jackson, C.J, Hong, N.-S, Carr, P.D. 登録日 2018-03-22 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
4MRE	Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 分子名称: 3-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE 著者 Liu, L.K, Finzel, B. 登録日 2013-09-17 公開日 2014-04-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
4MRH	Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule 分子名称: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE 著者 Liu, L.K, Finzel, B. 登録日 2013-09-17 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors. J.Med.Chem., 57, 2014
4K7O	HUMAN PEROXIREDOXIN 5 with a fragment 分子名称: 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... 著者 Guichou, J.F. 登録日 2013-04-17 公開日 2014-04-23 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5 Plos One, 9, 2014
1EOJ	Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures 分子名称: ALPHA THROMBIN, THROMBIN INHIBITOR P798 著者 Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. 登録日 2000-03-23 公開日 2000-05-03 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
1EOL	Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures 分子名称: ALPHA THROMBIN, THROMBIN INHIBITOR P628 著者 Slon-Usakiewicz, J.J, Sivaraman, J, Li, Y, Cygler, M, Konishi, Y. 登録日 2000-03-23 公開日 2000-05-03 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design of P1' and P3' residues of trivalent thrombin inhibitors and their crystal structures. Biochemistry, 39, 2000
7Y9L	Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile 分子名称: 5-nitro-2-oxidanyl-benzenecarbonitrile, Bifunctional cytochrome P450/NADPH--P450 reductase, NICKEL (II) ION, ... 著者 Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T. 登録日 2022-06-25 公開日 2023-07-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Crystal structure of P450 BM3-2F from Bacillus megaterium in complex with 2-Hydroxy-5-Nitrobenzonitrile to be published
5RF1	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00023830 分子名称: 3C-like proteinase, 4-bromobenzene-1-sulfonamide, DIMETHYL SULFOXIDE 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

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