PDB: 82203 件ウェブページステータス検索Chemie searchBIRD

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7UAZ	Crystal structure of human CYP3A4 with the caged inhibitor 分子名称: (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2022-03-14 公開日 2022-08-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Ir(III)-Based Agents for Monitoring the Cytochrome P450 3A4 Active Site Occupancy. Inorg.Chem., 61, 2022
1BTI	CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A 分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR 著者 Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A. 登録日 1991-07-11 公開日 1993-10-31 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A. Protein Sci., 2, 1993
6XZ6	Structure of the trypanosome brucei factor H receptor bound to domain D5 of bovine factor H 分子名称: Complement factor H, GARP domain-containing protein 著者 Macleod, O.J.S, Carrington, M, Higgins, M.K. 登録日 2020-02-02 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 A receptor for the complement regulator factor H increases transmission of trypanosomes to tsetse flies. Nat Commun, 11, 2020
7T79	CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE 分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate 著者 Muckelbauer, J.K. 登録日 2021-12-14 公開日 2022-03-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132). J.Med.Chem., 65, 2022
7T78	CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE 分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ... 著者 Muckelbauer, J.K. 登録日 2021-12-14 公開日 2022-03-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132). J.Med.Chem., 65, 2022
7P4R	Ultra High Resolution X-ray Structure of Orthorhombic Bovine Pancreatic Ribonuclease at 100K 分子名称: ETHANOL, Ribonuclease pancreatic, SULFATE ION 著者 Lisgarten, D.R, Palmer, R.A, Cooper, J.B, Naylor, C.E, Howlin, B.J, Lisgarten, J.N, Najmudin, S, Lobley, C.M.C. 登録日 2021-07-12 公開日 2022-07-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Ultra-high resolution X-ray structure of orthorhombic bovine pancreatic Ribonuclease A at 100K. BMC Chem, 17, 2023
7RFQ	STRUCTURE OF BACTERIAL SYLF DOMAIN CONTAINING PROTEIN, BETA CELL EXPANSION FACTOR A (BEFA) 分子名称: BETA CELL EXPANSION FACTOR A (BEFA), CITRIC ACID 著者 Sweeney, E.G. 登録日 2021-07-14 公開日 2022-07-20 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 BefA, a microbiota-secreted membrane disrupter, disseminates to the pancreas and increases beta cell mass. Cell Metab., 34, 2022
6QYG	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mg2+ and CoA. 分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-08 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
6QYF	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 4.6 with Mg2+ and CoA. 分子名称: COENZYME A, MAGNESIUM ION, Possible 4'-phosphopantetheinyl transferase 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-08 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
4TPI	THE REFINED 2.2-ANGSTROMS (0.22-NM) X-RAY CRYSTAL STRUCTURE OF THE TERNARY COMPLEX FORMED BY BOVINE TRYPSINOGEN, VALINE-VALINE AND THE ARG15 ANALOGUE OF BOVINE PANCREATIC TRYPSIN INHIBITOR 分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ... 著者 Bode, W, Walter, J. 登録日 1985-06-11 公開日 1985-11-08 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The refined 2.2-A (0.22-nm) X-ray crystal structure of the ternary complex formed by bovine trypsinogen, valine-valine and the Arg15 analogue of bovine pancreatic trypsin inhibitor Eur.J.Biochem., 144, 1984
6QWU	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA. 分子名称: COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-06 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
6QXQ	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 7 with Mn2+ and CoA. 分子名称: COENZYME A, MANGANESE (II) ION, Possible 4'-phosphopantetheinyl transferase 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-07 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
6QXR	4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA. 分子名称: CALCIUM ION, COENZYME A, MANGANESE (II) ION, ... 著者 Nguyen, M.C, Mourey, L, Pedelacq, J.D. 登録日 2019-03-07 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
7UE8	PANK3 complex structure with compound PZ-3890 分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... 著者 White, S.W, Yun, M, Lee, R.E. 登録日 2022-03-21 公開日 2023-03-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
6AKX	The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 分子名称: C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... 著者 Zhu, Y, Zhao, Q, Wu, B. 登録日 2018-09-04 公開日 2018-10-24 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists. J. Med. Chem., 61, 2018
6SOZ	Glycosylated Trypanosoma brucei transferrin receptor in complex with human transferrin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ESAG6, ... 著者 Trevor, C, Carrington, M, Higgins, M.K. 登録日 2019-08-30 公開日 2019-11-06 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.42 Å) 主引用文献 Structure of the trypanosome transferrin receptor reveals mechanisms of ligand recognition and immune evasion. Nat Microbiol, 4, 2019
4QJK	Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT 分子名称: COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION 著者 Noel, J.P, Burkart, M.D, Vickery, C.R. 登録日 2014-06-04 公開日 2014-07-16 最終更新日 2017-11-22 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria. Acs Chem.Biol., 9, 2014
4QJL	Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT 分子名称: COENZYME A, MAGNESIUM ION, Phosphopantetheinyl transferase, ... 著者 Noel, J.P, Burkart, M.D, Vickery, C.R. 登録日 2014-06-04 公開日 2014-07-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria. Acs Chem.Biol., 9, 2014
6CCQ	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol 分子名称: 2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
7TLL	Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332) 分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 著者 Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. 登録日 2022-01-18 公開日 2022-01-26 最終更新日 2022-06-15 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
6CCM	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one 分子名称: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
7U64	Crystal Structure of Anti-Fentanyl Antibody HY6-F9.6 Fab Complexed with Fentanyl 分子名称: ACETATE ION, HY6-F9.6 Fab heavy chain, HY6-F9.6 Fab light chain, ... 著者 Rodarte, J.V, Pancera, M.P. 登録日 2022-03-03 公開日 2023-01-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding. Structure, 31, 2023
6CCN	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide 分子名称: (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6CCS	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol 分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
7QT2	Antibody FenAb208 - fentanyl complex 分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide 著者 Zeelen, J.P, Straaten van, M, Stebbins, C.E. 登録日 2022-01-14 公開日 2023-05-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl. Cell Rep, 42, 2023

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