7POR
 
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5MDI
 | | Crystal structure of TDP-43 N-terminal domain at 2.1 A resolution | | 分子名称: | ACETATE ION, TAR DNA-binding protein 43 | | 著者 | Afroz, T, Hock, E.-M, Ernst, P, Foglieni, C, Jambeau, M, Gilhespy, L, Laferriere, F, Maniecka, Z, Plueckthun, A, Mittl, P, Paganetti, P, Allain, F.H.T, Polymenidou, M. | | 登録日 | 2016-11-11 | | 公開日 | 2017-07-05 | | 最終更新日 | 2017-07-12 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Functional and dynamic polymerization of the ALS-linked protein TDP-43 antagonizes its pathologic aggregation.
Nat Commun, 8, 2017
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7POS
 | | PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide | | 分子名称: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Rowland, P, Convery, M. | | 登録日 | 2021-09-09 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
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5MDL
 | | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a "soak-and-freeze" derivatization method | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE3-S4 CLUSTER, ... | | 著者 | Kalms, J, Schmidt, A, Scheerer, P. | | 登録日 | 2016-11-11 | | 公開日 | 2018-02-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7POP
 | | PI3 kinase delta in complex with 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | | 分子名称: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Rowland, P, Convery, M. | | 登録日 | 2021-09-09 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.491 Å) | | 主引用文献 | Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.
J.Med.Chem., 64, 2021
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8BNA
 | | BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA | | 分子名称: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | 著者 | Pjura, P.E, Grzeskowiak, K, Dickerson, R.E. | | 登録日 | 1986-08-29 | | 公開日 | 1987-01-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Binding of Hoechst 33258 to the minor groove of B-DNA.
J.Mol.Biol., 197, 1987
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7R0G
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8TK2
 | | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) complexed with 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Dual specificity protein phosphatase 3, ... | | 著者 | Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | | 登録日 | 2023-07-25 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) binding 2-((2,4-difluorobenzyl)amino)-2-oxoacetic acid
To Be Published
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6Y0N
 | | Arginine hydroxylase VioC in complex with Arg, 2OG and Fe under anaerobic environment using FT-SSX methods | | 分子名称: | 2-OXOGLUTARIC ACID, ARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, S.A, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-10 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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6Y54
 | | Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab | | 分子名称: | 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ... | | 著者 | Dello Iacono, L, Henriques, P, Adamo, R. | | 登録日 | 2020-02-24 | | 公開日 | 2020-10-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4R6Q
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | 登録日 | 2014-08-26 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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7R3X
 | | The crystal structure of the L439V variant of Pol2CORE in complex with DNA and an incoming nucleotide | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, ACETATE ION, CALCIUM ION, ... | | 著者 | Barbari, S.R, Beach, A.K, Markgren, J.G, Parkash, V, Johansson, E, Shcherbakova, P.V. | | 登録日 | 2022-02-08 | | 公開日 | 2022-07-27 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Enhanced polymerase activity permits efficient synthesis by cancer-associated DNA polymerase ε variants at low dNTP levels.
Nucleic Acids Res., 50, 2022
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | 分子名称: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | 著者 | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2023-04-14 | | 公開日 | 2023-07-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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4REB
 | | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | | 分子名称: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | | 著者 | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | 登録日 | 2014-09-22 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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6YHM
 | | Crystal structure of the C-terminal domain of CNFy from Yersinia pseudotuberculosis | | 分子名称: | Cytotoxic necrotizing factor, MAGNESIUM ION | | 著者 | Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W. | | 登録日 | 2020-03-30 | | 公開日 | 2020-12-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
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8S99
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | | 分子名称: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | 登録日 | 2023-03-27 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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6V02
 | | N-terminal 5 domains of CI-MPR | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cation-independent mannose-6-phosphate receptor | | 著者 | Olson, L.J, Dahms, N.M, Kim, J.-J.P. | | 登録日 | 2019-11-18 | | 公開日 | 2020-09-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Allosteric regulation of lysosomal enzyme recognition by the cation-independent mannose 6-phosphate receptor.
Commun Biol, 3, 2020
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7PK9
 | | C-reactive protein decamer at pH 7.5 | | 分子名称: | C-reactive protein, CALCIUM ION | | 著者 | Noone, D.P, Sharp, T.H. | | 登録日 | 2021-08-25 | | 公開日 | 2021-12-22 | | 最終更新日 | 2022-01-12 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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7PKB
 | | C-reactive protein pentamer at pH 7.5 | | 分子名称: | C-reactive protein, CALCIUM ION | | 著者 | Noone, D.P, Sharp, T.H. | | 登録日 | 2021-08-25 | | 公開日 | 2021-12-22 | | 最終更新日 | 2022-01-12 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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6V43
 | | Crystal structure of the flavin oxygenase with cofactor and substrate bound involved in folate catabolism | | 分子名称: | FAD/FMN-containing dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, pteridine-2,4(1H,3H)-dione | | 著者 | Begley, T.P, Adak, S, Zhao, B, Li, P. | | 登録日 | 2019-11-27 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A novel flavoenzyme catalyzed Baeyer-Villiger type rearrangement in bacterial folic acid catabolic pathway
To Be Published
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7PKF
 | | C-reactive protein decamer at pH 5 | | 分子名称: | C-reactive protein, CALCIUM ION | | 著者 | Noone, D.P, Sharp, T.H. | | 登録日 | 2021-08-25 | | 公開日 | 2021-12-22 | | 最終更新日 | 2022-01-12 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Cryo-Electron Microscopy and Biochemical Analysis Offer Insights Into the Effects of Acidic pH, Such as Occur During Acidosis, on the Complement Binding Properties of C-Reactive Protein.
Front Immunol, 12, 2021
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6Y12
 | | Arginine hydroxylase VioC in complex with (3S)-OH-Arg, succinate and Fe after oxygen exposure using FT-SSX methods | | 分子名称: | (2S,3S)-3-HYDROXYARGININE, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (III) ION, ... | | 著者 | Rabe, P, Beale, J.H, Lang, P.A, Dirr, A.S, Leissing, T.M, Butryn, A, Aller, P, Kamps, J.J.A.G, Axford, D, McDonough, M.A, Orville, A.M, Owen, R, Schofield, C.J. | | 登録日 | 2020-02-11 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Anaerobic fixed-target serial crystallography.
Iucrj, 7, 2020
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5MQL
 | | Crystal structure of dCK mutant C3S in complex with masitinib and UDP | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ... | | 著者 | Rebuffet, E, Hammam, K, Saez-Ayala, M, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P. | | 登録日 | 2016-12-20 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
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8WIL
 | | Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D55 construct) | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ... | | 著者 | Wang, X, Jing, X, Deng, F, Gong, P. | | 登録日 | 2023-09-24 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
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8WIM
 | | Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D307 construct) | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ... | | 著者 | Wang, X, Jing, X, Deng, F, Gong, P. | | 登録日 | 2023-09-24 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
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