8G3Y
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![BU of 8g3y by Molmil](/molmil-images/mine/8g3y) | MBP-Mcl1 in complex with ligand 34 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Miller, B.R, Shaffer, P. | 登録日 | 2023-02-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G3X
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![BU of 8g3x by Molmil](/molmil-images/mine/8g3x) | MBP-Mcl1 in complex with ligand 32 | 分子名称: | 1,2-ETHANEDIOL, Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera, ... | 著者 | Miller, B.R, Shaffer, P. | 登録日 | 2023-02-08 | 公開日 | 2023-05-17 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies. J.Med.Chem., 66, 2023
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8G43
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![BU of 8g43 by Molmil](/molmil-images/mine/8g43) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | 分子名称: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | 著者 | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2023-02-08 | 公開日 | 2023-05-03 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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5IZR
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![BU of 5izr by Molmil](/molmil-images/mine/5izr) | Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate inhibitor and Terbium Chloride | 分子名称: | Cytosolic phospholipase A2 delta, TERBIUM(III) ION, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate | 著者 | Wang, H, Klein, M.G. | 登録日 | 2016-03-25 | 公開日 | 2016-06-08 | 最終更新日 | 2016-06-22 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition. J.Mol.Biol., 428, 2016
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7WEW
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![BU of 7wew by Molmil](/molmil-images/mine/7wew) | Structure of adenylation domain of epsilon-poly-L-lysine synthase | 分子名称: | ADENOSINE-5'-[LYSYL-PHOSPHATE], Epsilon-poly-L-lysine synthase, GLYCEROL, ... | 著者 | Okamoto, T, Yamanaka, K, Hamano, Y, Nagano, S, Hino, T. | 登録日 | 2021-12-24 | 公開日 | 2022-02-09 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the adenylation domain from an epsilon-poly-l-lysine synthetase provides molecular mechanism for substrate specificity Biochem.Biophys.Res.Commun., 596, 2022
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5J0D
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![BU of 5j0d by Molmil](/molmil-images/mine/5j0d) | Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound | 分子名称: | 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein | 著者 | Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-03-28 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. J.Med.Chem., 59, 2016
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8GM5
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![BU of 8gm5 by Molmil](/molmil-images/mine/8gm5) | Functional construct of the Eukaryotic elongation factor 2 kinase bound to Calmodulin, ADP and to the A-484954 inhibitor and showing two conformations for the 498-520 loop | 分子名称: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | 著者 | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | 登録日 | 2023-03-24 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor. J.Biol.Chem., 299, 2023
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5J0F
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![BU of 5j0f by Molmil](/molmil-images/mine/5j0f) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P4/5 | 分子名称: | GLYCEROL, Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | 著者 | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | 登録日 | 2016-03-28 | 公開日 | 2017-02-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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8G44
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![BU of 8g44 by Molmil](/molmil-images/mine/8g44) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | 分子名称: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | 著者 | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | 登録日 | 2023-02-08 | 公開日 | 2023-05-03 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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5IVH
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5J42
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![BU of 5j42 by Molmil](/molmil-images/mine/5j42) | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | 分子名称: | 1,2-ETHANEDIOL, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, GLYCEROL, ... | 著者 | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | 登録日 | 2016-03-31 | 公開日 | 2016-05-04 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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5J4H
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![BU of 5j4h by Molmil](/molmil-images/mine/5j4h) | Structure of humanised RadA-mutant humRadA22F in complex with indole-6-carboxylic acid | 分子名称: | 1H-indole-6-carboxylic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ... | 著者 | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | 登録日 | 2016-04-01 | 公開日 | 2016-10-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | 主引用文献 | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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5J4O
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5J55
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![BU of 5j55 by Molmil](/molmil-images/mine/5j55) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, Carotenoid oxygenase, FE (III) ION, ... | 著者 | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | 登録日 | 2016-04-01 | 公開日 | 2016-11-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8GDI
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![BU of 8gdi by Molmil](/molmil-images/mine/8gdi) | X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol | 分子名称: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Ghith, A, Bruning, J.B, Bell, S.G. | 登録日 | 2023-03-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum. J.Steroid Biochem.Mol.Biol., 231, 2023
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8GFC
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5JAB
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8GFG
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![BU of 8gfg by Molmil](/molmil-images/mine/8gfg) | Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Z7912 inhibitor | 分子名称: | (3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside, CITRIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | van den Akker, F, Kumar, V. | 登録日 | 2023-03-08 | 公開日 | 2023-05-24 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Exploring the inhibition of the soluble lytic transglycosylase Cj0843c of Campylobacter jejuni via targeting different sites with different scaffolds. Protein Sci., 32, 2023
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8GFF
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8GFH
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5J6F
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![BU of 5j6f by Molmil](/molmil-images/mine/5j6f) | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | 分子名称: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | 著者 | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | 登録日 | 2016-04-04 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate. J. Biol. Chem., 291, 2016
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8GFE
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8GFJ
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8GFM
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7WH4
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![BU of 7wh4 by Molmil](/molmil-images/mine/7wh4) | |