8BI7
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![BU of 8bi7 by Molmil](/molmil-images/mine/8bi7) | Binary structure of 14-3-3s and PKR phosphopeptide | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide | 著者 | Somsen, B.A, Ottmann, C. | 登録日 | 2022-11-01 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach. J.Am.Chem.Soc., 145, 2023
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7RIL
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![BU of 7ril by Molmil](/molmil-images/mine/7ril) | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | 分子名称: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | 著者 | Oh, J, Dervan, P.B, Wang, D. | 登録日 | 2021-07-20 | 公開日 | 2022-01-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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6K35
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![BU of 6k35 by Molmil](/molmil-images/mine/6k35) | Crystal structure of GH20 exo beta-N-acetylglucosaminidase from Vibrio harveyi in complex with NAG-thiazoline | 分子名称: | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-N-acetylglucosaminidase Nag2 | 著者 | Meekrathok, P, Stubbs, K.A, Bulmer, D.M, van den Berg, B, Suginta, W. | 登録日 | 2019-05-16 | 公開日 | 2020-05-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | NAG-thiazoline is a potent inhibitor of the Vibrio campbellii GH20 beta-N-Acetylglucosaminidase. Febs J., 287, 2020
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8T8I
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![BU of 8t8i by Molmil](/molmil-images/mine/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 | 2024-01-03 | 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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7JZG
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![BU of 7jzg by Molmil](/molmil-images/mine/7jzg) | |
8TS9
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![BU of 8ts9 by Molmil](/molmil-images/mine/8ts9) | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | 分子名称: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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7JZF
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7RIM
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![BU of 7rim by Molmil](/molmil-images/mine/7rim) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 | 分子名称: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | 著者 | Oh, J, Dervan, P.B, Wang, D. | 登録日 | 2021-07-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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6Z3L
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![BU of 6z3l by Molmil](/molmil-images/mine/6z3l) | Repulsive Guidance Molecule C (RGMC, Hemojuvelin, HJV, HFE2) in complex with Growth Differentiation Factor 5 (GDF5) | 分子名称: | Growth/differentiation factor 5, Hemojuvelin | 著者 | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | 登録日 | 2020-05-20 | 公開日 | 2020-07-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.513 Å) | 主引用文献 | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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6CUK
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6Z5O
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![BU of 6z5o by Molmil](/molmil-images/mine/6z5o) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE | 分子名称: | COENZYME A, GLYCEROL, NICOTINAMIDE, ... | 著者 | Wierenga, R.K, Sridhar, S, Kiema, T.R. | 登録日 | 2020-05-27 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites. Acta Crystallogr D Struct Biol, 76, 2020
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7K0U
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8THS
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6OXC
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![BU of 6oxc by Molmil](/molmil-images/mine/6oxc) | Structure of Mycobacterium tuberculosis methylmalonyl-CoA mutase with adenosyl cobalamin | 分子名称: | 5'-DEOXYADENOSINE, COBALAMIN, Methylmalonyl-CoA mutase large subunit, ... | 著者 | Purchal, M, Ruetz, M, Banerjee, R, Koutmos, M. | 登録日 | 2019-05-13 | 公開日 | 2019-11-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Itaconyl-CoA forms a stable biradical in methylmalonyl-CoA mutase and derails its activity and repair. Science, 366, 2019
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7RIY
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![BU of 7riy by Molmil](/molmil-images/mine/7riy) | RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 2 soaked with UTP | 分子名称: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | 著者 | Oh, J, Dervan, P.B, Wang, D. | 登録日 | 2021-07-20 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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5THU
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![BU of 5thu by Molmil](/molmil-images/mine/5thu) | Crystal Structure of G304A HDAC8 in complex with M344 | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | 著者 | Porter, N.J, Christianson, D.W. | 登録日 | 2016-09-30 | 公開日 | 2016-12-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry, 55, 2016
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6FIX
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8B7F
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5TNU
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![BU of 5tnu by Molmil](/molmil-images/mine/5tnu) | S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution | 分子名称: | CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ... | 著者 | DuPrez, K.T, Hilario, E, Wang, I, Fan, L. | 登録日 | 2016-10-14 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA. Anal.Chem., 90, 2018
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6Z7L
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![BU of 6z7l by Molmil](/molmil-images/mine/6z7l) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 with GSK789 | 分子名称: | (3~{R},4~{R})-~{N}-cyclohexyl-4-[[5-(furan-2-yl)-3-methyl-2-oxidanylidene-1~{H}-1,7-naphthyridin-8-yl]amino]-1-methyl-piperidine-3-carboxamide, Bromodomain-containing protein 4 | 著者 | Chung, C. | 登録日 | 2020-05-31 | 公開日 | 2020-07-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.624 Å) | 主引用文献 | GSK789: A Selective Inhibitor of the First Bromodomains (BD1) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 63, 2020
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5HDR
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![BU of 5hdr by Molmil](/molmil-images/mine/5hdr) | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | 分子名称: | Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ... | 著者 | Wright, D.W, Davies, G.J. | 登録日 | 2016-01-05 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine To Be Published
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6CVC
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6FJQ
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![BU of 6fjq by Molmil](/molmil-images/mine/6fjq) | Adenovirus species 48, fiber knob protein | 分子名称: | 1,2-ETHANEDIOL, Fiber, GLYCEROL, ... | 著者 | Rizkallah, P.J, Parker, A.L, Baker, A.T. | 登録日 | 2018-01-22 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions. Nat Commun, 10, 2019
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6Z7O
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![BU of 6z7o by Molmil](/molmil-images/mine/6z7o) | Crystal structure of Thioredoxin T from Drosophila melanogaster | 分子名称: | Thioredoxin-T, ZINC ION | 著者 | Freier, R, Aragon, E, Baginski, B, Pluta, R, Martin-Malpartida, P, Torner, C, Gonzaez, C, Macias, M. | 登録日 | 2020-05-31 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins. Iucrj, 8, 2021
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7K1P
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