6C1X
 
 | | Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | | 分子名称: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | | 著者 | Yabukarski, F, Pinney, M.M, Herschlag, D. | | 登録日 | 2018-01-05 | | 公開日 | 2018-07-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
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6C3M
 | | Wild type structure of SiRHP | | 分子名称: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Stroupe, M.E. | | 登録日 | 2018-01-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity.
Biochim. Biophys. Acta, 1866, 2018
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7MFG
 | | Cryo-EM structure of the VRC310 clinical trial, vaccine-elicited, human antibody 310-030-1D06 Fab in complex with an H1 NC99 HA trimer | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 310-030-1D06 Heavy, 310-030-1D06 Light, ... | | 著者 | Gorman, J, Kwong, P.D. | | 登録日 | 2021-04-09 | | 公開日 | 2021-11-03 | | 最終更新日 | 2022-03-09 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination.
Nat Med, 28, 2022
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6C3X
 | | Wild type structure of SiRHP | | 分子名称: | IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Stroupe, M.E. | | 登録日 | 2018-01-11 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.542 Å) | | 主引用文献 | The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity.
Biochim. Biophys. Acta, 1866, 2018
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7MFJ
 | | Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae | | 分子名称: | ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | | 登録日 | 2021-04-09 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.351 Å) | | 主引用文献 | Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
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6DEU
 | | Human caspase-6 A109T | | 分子名称: | Caspase-6 | | 著者 | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | | 登録日 | 2018-05-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
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6DPX
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6DUP
 | | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7 | | 分子名称: | (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2 | | 著者 | Chen, X, Zhang, Y, Mclean, L.R. | | 登録日 | 2018-06-21 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018
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6DN2
 | | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA | | 分子名称: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | | 登録日 | 2018-06-05 | | 公開日 | 2018-09-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | | 主引用文献 | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
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6DWU
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6DWD
 | | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | 登録日 | 2018-06-26 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6D6Z
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6D78
 | | The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide | | 分子名称: | Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ... | | 著者 | Hellman, L.M, Singh, N.K. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.347 Å) | | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
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7LUC
 | | Cryo-EM structure of RSV preF bound by Fabs 32.4K and 01.4B | | 分子名称: | 01.4B Fab Heavy chain, 01.4B Fab Light chain, 32.4K Fab Heavy chain, ... | | 著者 | Wrapp, D, McLellan, J.S. | | 登録日 | 2021-02-22 | | 公開日 | 2021-04-21 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | | 主引用文献 | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
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6DKP
 | | The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | | 分子名称: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | | 著者 | Hellman, L.M, Singh, N.K. | | 登録日 | 2018-05-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
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7MP3
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6ATS
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6ATU
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6AUP
 | | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | | 分子名称: | GLYCEROL, Potassium channel toxin gamma-KTx 2.2, SULFATE ION | | 著者 | Gewe, M.M, Rupert, P, Strong, R.K. | | 登録日 | 2017-09-01 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
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6B1J
 | | Crystal structure KPC-2 beta-lactamase complexed with WCK 5107 by soaking | | 分子名称: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide, 1,2-ETHANEDIOL, CITRIC ACID, ... | | 著者 | van den Akker, F, Nguyen, N.Q. | | 登録日 | 2017-09-18 | | 公開日 | 2018-08-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using beta-Lactamase Inhibitors and beta-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234.
J. Med. Chem., 61, 2018
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6ATL
 | | Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox | | 分子名称: | CITRIC ACID, Potassium channel toxin alpha-KTx 4.2, SULFATE ION | | 著者 | Gewe, M.M, Rupert, P, Strong, R.K. | | 登録日 | 2017-08-29 | | 公開日 | 2018-02-28 | | 最終更新日 | 2018-03-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
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7MQ2
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7MM8
 | | Crystal structure of HCV NS3/4A protease in complex with NR02-08 | | 分子名称: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3/4a protease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2021-04-29 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
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7MM6
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7MMJ
 | | Crystal structure of HCV NS3/4A D168A protease in complex with NR02-08 | | 分子名称: | (1R,2R)-2-fluorocyclopentyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | | 著者 | Zephyr, J, Schiffer, C.A. | | 登録日 | 2021-04-29 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | | 主引用文献 | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
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