7TCI
 
 | | Structure of Xenopus KCNQ1-CaM in complex with ML277 | | 分子名称: | (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide, CALCIUM ION, Calmodulin-1, ... | | 著者 | Willegems, K, Kyriakis, E, Van Petegem, F, Eldstrom, J, Fedida, D. | | 登録日 | 2021-12-23 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural and electrophysiological basis for the modulation of KCNQ1 channel currents by ML277.
Nat Commun, 13, 2022
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8P11
 | | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. | | 分子名称: | 4-(4-chlorophenyl)piperidin-4-ol, Acetylcholine-binding protein, CHLORIDE ION, ... | | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
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6GVG
 | | Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-4-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | | 分子名称: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | | 登録日 | 2018-06-21 | | 公開日 | 2019-10-02 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6QRX
 | | X-ray radiation dose series on xylose isomerase - 3.88 MGy | | 分子名称: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | 著者 | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | | 登録日 | 2019-02-19 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | | 主引用文献 | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
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5KU1
 | | hMiro1 EF hand and cGTPase domains in the GDP-bound state | | 分子名称: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | | 登録日 | 2016-07-12 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
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7TE2
 | | Crystal Structure of AerR from Rhodobacter capsulatus at 2.25 A. | | 分子名称: | AerR, CHLORIDE ION, COBALAMIN, ... | | 著者 | Dragnea, V, Gonzalez-Gutierrez, G, Bauer, C.E. | | 登録日 | 2022-01-04 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Analyses of CrtJ and Its B 12 -Binding Co-Regulators SAerR and LAerR from the Purple Photosynthetic Bacterium Rhodobacter capsulatus.
Microorganisms, 10, 2022
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7PXZ
 | | Reduced form of SARS-CoV-2 Main Protease determined by XFEL radiation | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Schubert, R, Reinke, P, Galchenkova, M, Oberthuer, D, Murillo, G.E.P, Kim, C, Bean, R, Turk, D, Hinrichs, W, Middendorf, P, Round, A, Schmidt, C, Mills, G, Kirkwood, H, Han, H, Koliyadu, J, Bielecki, J, Gelisio, L, Sikorski, M, Kloos, M, Vakilii, M, Yefanov, O.N, Vagovic, P, de-Wijn, R, Letrun, R, Guenther, S, White, T.A, Sato, T, Srinivasan, V, Kim, Y, Chretien, A, Han, S, Brognaro, H, Maracke, J, Knoska, J, Seychell, B.C, Brings, L, Norton-Baker, B, Geng, T, Dore, A.S, Uetrecht, C, Redecke, L, Beck, T, Lorenzen, K, Betzel, C, Mancuso, A.P, Bajt, S, Chapman, H.N, Meents, A, Lane, T.J. | | 登録日 | 2021-10-08 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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5IIL
 | | Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating 8-oxo-dG and incorporated dA | | 分子名称: | CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*AP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ... | | 著者 | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | | 登録日 | 2016-03-01 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
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6WTJ
 | | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication | | 分子名称: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | | 登録日 | 2020-05-02 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.
Nat Commun, 11, 2020
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8T8I
 | | Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ... | | 著者 | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | | 登録日 | 2023-06-22 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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7PVP
 | | Crystal structure of the SAKe6BC designer protein | | 分子名称: | SAKe6BC | | 著者 | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | 登録日 | 2021-10-05 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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5L7F
 | | Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. | | 分子名称: | 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... | | 著者 | Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | | 登録日 | 2016-06-03 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes.
Bioconjug.Chem., 27, 2016
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8T9Y
 | | Structure of VHH-Fab complex with engineered Elbow FNQIKG and Crystal Kappa regions | | 分子名称: | DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain, ... | | 著者 | Filippova, E.V, Thompson, I, Kossiakoff, A.A. | | 登録日 | 2023-06-26 | | 公開日 | 2023-11-29 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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6GQX
 | | KRAS-169 Q61H GPPNHP + CH-2 | | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | 登録日 | 2018-06-08 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4XCO
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7TCP
 | | Structure of Xenopus KCNQ1-CaM | | 分子名称: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 1 | | 著者 | Willegems, K, Kyriakis, E, Van Petegem, F, Eldstrom, J, Fedida, D. | | 登録日 | 2021-12-27 | | 公開日 | 2022-07-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.84 Å) | | 主引用文献 | Structural and electrophysiological basis for the modulation of KCNQ1 channel currents by ML277.
Nat Commun, 13, 2022
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6TQA
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ... | | 著者 | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | 登録日 | 2019-12-16 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | 分子名称: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | 著者 | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | 登録日 | 2018-06-01 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8SME
 | | Structure of SPO1 phage Tad2 in apo state | | 分子名称: | Gp34.65 | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
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8OUO
 | | Human TPC2 in Complex with Antagonist (S)-SG-094 | | 分子名称: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | | 登録日 | 2023-04-24 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist.
Structure, 32, 2024
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8CDM
 | | Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, Myosin A tail domain interacting protein, ... | | 著者 | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | | 登録日 | 2023-01-31 | | 公開日 | 2024-02-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
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6AP4
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8P7D
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7T5W
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5IIN
 | | Crystal structure of the pre-catalytic ternary extension complex of DNA polymerase lambda with an 8-oxo-dG:dC base-pair | | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*(8OG)P*TP*AP*CP*TP*G)-3'), ... | | 著者 | Burak, M.J, Guja, K.E, Garcia-Diaz, M. | | 登録日 | 2016-03-01 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A fidelity mechanism in DNA polymerase lambda promotes error-free bypass of 8-oxo-dG.
Embo J., 35, 2016
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