8BCH
 
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7M4A
 | | DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 20 min | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2021-03-21 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | | 主引用文献 | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
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8BCF
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 78 | | 分子名称: | 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, U5 small nuclear ribonucleoprotein 200 kDa helicase, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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6R06
 | | T. CRUZI FPPS IN COMPLEX WITH (3S,4S)-4-(3,4-dimethylphenoxy)-1-(prop-2-yn-1-yl)piperidin-3-ol | | 分子名称: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | | 著者 | Petrick, J.K, Muenzker, L, Schleberger, C, Wolfgang, J. | | 登録日 | 2019-03-12 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.559 Å) | | 主引用文献 | Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019
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7M46
 | | DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 5 min | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2021-03-21 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
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7M48
 | | DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 960 min | | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2021-03-21 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints.
Nat Commun, 13, 2022
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5UEX
 | | BRD4_BD2_A-1497627 | | 分子名称: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | | 著者 | Park, C.H. | | 登録日 | 2017-01-03 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
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8BCA
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 26 | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide, GLYCEROL, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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6E2B
 | | Ubiquitin in complex with Pt(2-phenilpyridine)(PPh3) | | 分子名称: | GLYCEROL, SULFATE ION, Ubiquitin, ... | | 著者 | Zhemkov, V.A, Kim, M. | | 登録日 | 2018-07-11 | | 公開日 | 2018-11-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Reactions of Cyclometalated Platinum(II) [Pt(N∧C)(PR3)Cl] Complexes with Imidazole and Imidazole-Containing Biomolecules: Fine-Tuning of Reactivity and Photophysical Properties via Ligand Design.
Inorg Chem, 58, 2019
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5U9K
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9BTP
 | | Structure of human SHOC2 in complex with a small molecule inhibitor (S)-5 | | 分子名称: | (2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid, Leucine-rich repeat protein SHOC-2, POTASSIUM ION | | 著者 | Dhembi, A, Hauseman, Z.J, King, D. | | 登録日 | 2024-05-15 | | 公開日 | 2025-04-02 | | 最終更新日 | 2025-06-25 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Targeting the SHOC2-RAS interaction in RAS-mutant cancers.
Nature, 642, 2025
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3NG1
 | | N AND GTPASE DOMAINS OF THE SIGNAL SEQUENCE RECOGNITION PROTEIN FFH FROM THERMUS AQUATICUS | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, SIGNAL SEQUENCE RECOGNITION PROTEIN FFH, ... | | 著者 | Freymann, D.M, Stroud, R.M, Walter, P. | | 登録日 | 1998-09-13 | | 公開日 | 1999-07-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Functional changes in the structure of the SRP GTPase on binding GDP and Mg2+GDP.
Nat.Struct.Biol., 6, 1999
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9HT1
 | | A novel bottom-up approach to find lead-compounds in billion-sized libraries | | 分子名称: | 1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, Bromodomain-containing protein 4, HEXAETHYLENE GLYCOL | | 著者 | Ruiz Carrillo, D, Garcia Alai, M, Barril, X, Serrano-Morras, A, Bertran-Mostazo, A, Juarez-Jimenez, J, Defelipe, L. | | 登録日 | 2024-12-19 | | 公開日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | A bottom-up approach to find lead compounds in expansive chemical spaces.
Commun Chem, 8, 2025
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8BCB
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 34 | | 分子名称: | 1,2-ETHANEDIOL, Pre-mRNA-processing-splicing factor 8, SULFANILAMIDE, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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9HT2
 | | A novel bottom-up approach to find lead-compounds in billion-sized libraries | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Bromodomain-containing protein 4, methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate | | 著者 | Ruiz Carrillo, D, Garcia Alai, M, Barril, X, Serrano-Morras, A, Bertran-Mostazo, A, Juarez-Jimenez, J, Defelipe, L. | | 登録日 | 2024-12-19 | | 公開日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | A bottom-up approach to find lead compounds in expansive chemical spaces.
Commun Chem, 8, 2025
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5U87
 | | NMR structure of the precursor protein PawS1 comprising SFTI-1 and a seed storage albumin | | 分子名称: | Preproalbumin PawS1 | | 著者 | Franke, B, James, A.M, Mobli, M, Colgrave, M.L, Mylne, J.S, Rosengren, K.J. | | 登録日 | 2016-12-14 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of the precursor protein PawS1 comprising SFTI-1 and a seed storage albumin
to be published
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6QMF
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3GYL
 | | Structure of Prostasin at 1.3 Angstroms resolution in complex with a Calcium Ion. | | 分子名称: | CALCIUM ION, GLYCEROL, Prostasin | | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | | 登録日 | 2009-04-03 | | 公開日 | 2009-04-21 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
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5JAW
 | | Structure of a beta galactosidase with inhibitor | | 分子名称: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Beta-galactosidase, ... | | 著者 | Offen, W, Davies, G. | | 登録日 | 2016-04-12 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Towards broad spectrum activity-based glycosidase probes: synthesis and evaluation of deoxygenated cyclophellitol aziridines.
Chem. Commun. (Camb.), 53, 2017
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8BC8
 | | Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 18 | | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-4-oxidanyl-benzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ... | | 著者 | Vester, K, Loll, B, Wahl, M.C. | | 登録日 | 2022-10-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
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6ZJH
 | | Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose | | 分子名称: | GLYCEROL, Trehalose phosphorylase/synthase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | 著者 | Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U. | | 登録日 | 2020-06-29 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
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5A2E
 | | Extracellular SRCR domains of human CD6 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, T-CELL DIFFERENTIATION ANTIGEN CD6 | | 著者 | Chappell, P.E, Johnson, S, Lea, S.M, Brown, M.H. | | 登録日 | 2015-05-18 | | 公開日 | 2015-07-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structures of Cd6 and its Ligand Cd166 Give Insight Into Their Interaction.
Structure, 23, 2015
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7VX0
 | | The structure of GdmN complex with ATP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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5G0I
 | | Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ... | | 著者 | Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P. | | 登録日 | 2016-03-18 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
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5YKW
 | | Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems | | 分子名称: | Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL | | 著者 | Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R. | | 登録日 | 2017-10-16 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
to be published
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