PDB: 30805 件ウェブページステータス検索Chemie searchBIRD

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7RVV	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI22 分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
6LFP	Cry3Aa protein for enzyme entrapment 分子名称: Cry3Aa protein 著者 Heater, B.S, Chan, M.K. 登録日 2019-12-03 公開日 2020-10-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (3.31 Å) 主引用文献 In Vivo Enzyme Entrapment in a Protein Crystal. J.Am.Chem.Soc., 142, 2020
7SHJ	Crystal structure of Acinetobacter baumannii ZnuA in the metal-free state 分子名称: SODIUM ION, Zinc ABC transporter solute-binding protein 著者 Luo, Z, McDevitt, C.A, Kobe, B. 登録日 2021-10-09 公開日 2022-10-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Structural and biochemical characterization of Acinetobacter baumannii ZnuA. J.Inorg.Biochem., 231, 2022
6A4X	Oxidase ChaP-H2 分子名称: Bleomycin resistance protein, FE (II) ION 著者 Zhang, B, Wang, Y.S, Ge, H.M. 登録日 2018-06-21 公開日 2018-08-29 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis. J. Am. Chem. Soc., 140, 2018
6UKM	STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 分子名称: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain 著者 Lesburg, C.A. 登録日 2019-10-05 公開日 2020-08-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 An orally available non-nucleotide STING agonist with antitumor activity. Science, 369, 2020
7MZL	SARS-CoV-2 receptor binding domain bound to Fab PDI 210 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 210 heavy chain, PDI 210 light chain, ... 著者 Pymm, P, Chan, L.J, Dietrich, M.H, Tan, L.L, Tham, W.H. 登録日 2021-05-24 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
7VC7	The structure of beta-xylosidase from Phanerochaete chrysosporium(PcBxl3) 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... 著者 Kojima, K, Sunagawa, N, Igarashi, K. 登録日 2021-09-01 公開日 2022-02-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.08 Å) 主引用文献 Comparison of glycoside hydrolase family 3 beta-xylosidases from basidiomycetes and ascomycetes reveals evolutionarily distinct xylan degradation systems. J.Biol.Chem., 298, 2022
6LG5	Crystal Structure of the first bromodomain of human BRD4 in complex with compound BDF-1038 分子名称: 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one, Bromodomain-containing protein 4 著者 Xu, H, Zuo, Y, Zhang, H. 登録日 2019-12-04 公開日 2020-12-09 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 Lead-Opt: An efficient tool for structural optimization of lead compounds To Be Published
8OY0	ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii 分子名称: ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ... 著者 Alphey, M.S, Read, B, da Silva, R.G. 登録日 2023-05-03 公開日 2023-11-29 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase. Biochemistry, 63, 2024
6A4Z	Oxidase ChaP 分子名称: ChaP protein, FE (II) ION 著者 Zhang, B, Ge, H.M. 登録日 2018-06-21 公開日 2018-08-29 最終更新日 2018-09-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis. J. Am. Chem. Soc., 140, 2018
8C7U	Transcriptional pleiotropic repressor CodY from Enterococcus faecalis in complex with Leu and a 30-bp DNA fragment encompassing two overlapping binding sites 分子名称: DNA (29-MER), DNA (30-MER), GTP-sensing transcriptional pleiotropic repressor CodY, ... 著者 Hainzl, T, Sauer-Eriksson, A.E. 登録日 2023-01-17 公開日 2023-06-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (3.15 Å) 主引用文献 Structural insights into CodY activation and DNA recognition. Nucleic Acids Res., 51, 2023
7RVQ	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI16 分子名称: 3C-like proteinase, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.48 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7VWH	human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39 分子名称: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside 著者 Oyama, T, Miyachi, H. 登録日 2021-11-10 公開日 2022-02-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative. Acta Crystallogr.,Sect.F, 78, 2022
7NLG	S. cerevisiae Ty1 p22 restriction factor, Gag CA-CTD, AUG2 variant A273V mutant 分子名称: Ty1 Gag p22 著者 Cottee, M.A, Taylor, I.A. 登録日 2021-02-22 公開日 2021-10-06 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.528 Å) 主引用文献 Structure of a Ty1 restriction factor reveals the molecular basis of transposition copy number control. Nat Commun, 12, 2021
4ZES	Blood dendritic cell antigen 2 (BDCA-2) complexed with methyl-mannoside 分子名称: C-type lectin domain family 4 member C, CALCIUM ION, MAGNESIUM ION, ... 著者 Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E. 登録日 2015-04-20 公開日 2015-05-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2. J.Biol.Chem., 290, 2015
7RVX	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI24 分子名称: 3C-like proteinase, benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate 著者 Yang, K, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7VWE	Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122 分子名称: 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside 著者 Oyama, T, Miyachi, H. 登録日 2021-11-10 公開日 2022-02-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative. Acta Crystallogr.,Sect.F, 78, 2022
8C7O	Unliganded transcriptional pleiotropic repressor CodY from Staphylococcus aureus 分子名称: ACETATE ION, Global transcriptional regulator CodY, SULFATE ION 著者 Hainzl, T, Sauer-Eriksson, A.E. 登録日 2023-01-16 公開日 2023-06-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structural insights into CodY activation and DNA recognition. Nucleic Acids Res., 51, 2023
7SIE	Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis 分子名称: Accumulation associated protein, CALCIUM ION, CHLORIDE ION 著者 Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. 登録日 2021-10-13 公開日 2022-10-19 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface. J.Biol.Chem., 299, 2023
7MZI	SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 分子名称: GLYCEROL, Spike protein S1, TETRAETHYLENE GLYCOL, ... 著者 Pymm, P, Tan, L.L, Dietrich, M.H, Chan, L.J, Tham, W.H. 登録日 2021-05-24 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
6UFQ	Crystal structure of D678N GoxA bound to glycine 分子名称: GLYCINE, Glycine Oxidase GoxA, MAGNESIUM ION 著者 Yukl, E.T. 登録日 2019-09-24 公開日 2019-10-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 Kinetic and structural evidence that Asp-678 plays multiple roles in catalysis by the quinoprotein glycine oxidase. J.Biol.Chem., 294, 2019
8C9J	Crystal structure of human NQO1 by serial femtosecond crystallography 分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 著者 Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. 登録日 2023-01-23 公開日 2023-06-28 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip, 23, 2023
7VJZ	Crystal Structure of SARS-CoV-2 Mpro at 1.90 A resolution-7 分子名称: 3C-like proteinase 著者 DeMirci, H, Tokay, N. 登録日 2021-09-29 公開日 2022-01-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Case Study of High-Throughput Drug Screening and Remote Data Collection for SARS-CoV-2 Main Protease by Using Serial Femtosecond X-ray Crystallography Crystals, 11, 2021
6A5Z	Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1 分子名称: (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... 著者 Wang, N, Liu, J. 登録日 2018-06-25 公開日 2018-10-10 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
7RVT	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI20 分子名称: 3C-like proteinase, N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K, Sankaran, B, Liu, W. 登録日 2021-08-19 公開日 2022-07-20 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A multi-pronged evaluation of aldehyde-based tripeptidyl main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022

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