6CFV
 
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5KAO
 | | Crystal structure of wild type HIV-1 protease in complex with GRL-10413 | | 分子名称: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate, protease | | 著者 | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | | 登録日 | 2016-06-01 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413.
Antimicrob.Agents Chemother., 60, 2016
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4WA7
 | | Crystal Structure of a GDP-bound Q61L Oncogenic Mutant of Human GT- Pase KRas | | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D. | | 登録日 | 2014-08-28 | | 公開日 | 2015-06-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | | 主引用文献 | Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
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5KCE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative | | 分子名称: | (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-06-06 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.847 Å) | | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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6CKB
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5JUC
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and glucosyl-3-phosphoglycerate (GPG) - GpgS*GPG*UDP*Mn2+_2 | | 分子名称: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, Glucosyl-3-phosphoglycerate synthase, ... | | 著者 | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | | 登録日 | 2016-05-10 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
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6CL9
 | | 2.20 A MicroED structure of proteinase K at 4.3 e- / A^2 | | 分子名称: | Proteinase K | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.2 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLG
 | | 1.35 A MicroED structure of GSNQNNF at 2.4 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.35 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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5JUE
 | | Crystal Structure of UIC2 Fab | | 分子名称: | GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab | | 著者 | Xia, D, Esser, L. | | 登録日 | 2016-05-10 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein.
Acta Crystallogr.,Sect.F, 72, 2016
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6CLN
 | | 1.15 A MicroED structure of GSNQNNF at 1.8 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.15 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CMS
 | | Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor | | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | | 著者 | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | 登録日 | 2018-03-06 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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5JX0
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6CFT
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5JZ9
 | | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | | 分子名称: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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6COM
 | | 2.3A crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Asp269Asn | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Sokaribo, A.S, Cotelesage, J.H, Novakovski, B, Goldie, H, Sanders, D. | | 登録日 | 2018-03-12 | | 公開日 | 2018-04-04 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
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6CGZ
 | | Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to C6-AHL | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ... | | 著者 | Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M. | | 登録日 | 2018-02-21 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
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6CPG
 | | Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation | | 分子名称: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody | | 著者 | Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D. | | 登録日 | 2018-03-13 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
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9EWU
 | | Crystal structure of human butyrylcholinesterase in complex with (2R,3S)-1-[(cyclopropylmethyl)amino]-3-[(9H-fluoren-9-yl)amino]-4-phenylbutan-2-ol | | 分子名称: | (2~{R},3~{S})-1-(cyclopropylmethylamino)-3-(9~{H}-fluoren-9-ylamino)-4-phenyl-butan-2-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Panek, D, Pasieka, A, Malawska, B, Nachon, F, Brazzolotto, X. | | 登録日 | 2024-04-04 | | 公開日 | 2025-02-05 | | 最終更新日 | 2025-02-12 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Multifunctional, Fluorene-Based Modulator of Cholinergic and GABAergic Neurotransmission as a Novel Drug Candidate for Palliative Treatment of Alzheimer's Disease.
Angew.Chem.Int.Ed.Engl., 64, 2025
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6CBE
 | | Atomic structure of a rationally engineered gene delivery vector, AAV2.5 | | 分子名称: | Capsid protein VP1 | | 著者 | Burg, M, Rosebrough, C, Drouin, L, Bennett, A, Mietzsch, M, Chipman, P, McKenna, R, Sousa, D, Potter, M, Byrne, B, Kozyreva, O.G, Samulski, R.J, Agbandje-McKenna, M. | | 登録日 | 2018-02-02 | | 公開日 | 2018-05-30 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | | 主引用文献 | Atomic structure of a rationally engineered gene delivery vector, AAV2.5.
J. Struct. Biol., 203, 2018
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4UXI
 | | Leishmania major Thymidine Kinase in complex with thymidine | | 分子名称: | PHOSPHATE ION, THYMIDINE, THYMIDINE KINASE, ... | | 著者 | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | | 登録日 | 2014-08-22 | | 公開日 | 2015-05-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
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4V1Y
 | | The structure of the hexameric atrazine chlorohydrolase, AtzA | | 分子名称: | 1,2-ETHANEDIOL, ATRAZINE CHLOROHYDROLASE, CHLORIDE ION, ... | | 著者 | Peat, T.S, Newman, J, Balotra, S, Lucent, D, Warden, A.C, Scott, C. | | 登録日 | 2014-10-04 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The Structure of the Hexameric Atrazine Chlorohydrolase Atza.
Acta Crystallogr.,Sect.D, 71, 2015
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4V3C
 | | The structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis in complex with the donor product CMP | | 分子名称: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | | 著者 | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | | 登録日 | 2014-10-17 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
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5JQZ
 | | Designed two-ring homotetramer at 3.8A resolution | | 分子名称: | De novo designed homotetramer | | 著者 | Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z. | | 登録日 | 2016-05-05 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.83 Å) | | 主引用文献 | De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
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6CLA
 | | 2.80 A MicroED structure of proteinase K at 6.0 e- / A^2 | | 分子名称: | Proteinase K | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLJ
 | | 1.01 A MicroED structure of GSNQNNF at 0.50 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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