5MB0
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![BU of 5mb0 by Molmil](/molmil-images/mine/5mb0) | Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin | 分子名称: | 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Radeva, N, Heine, A, Klebe, G. | 登録日 | 2016-11-07 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | 主引用文献 | Comparison of cocktail versus single soaking experimets To Be Published
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5MBK
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![BU of 5mbk by Molmil](/molmil-images/mine/5mbk) | Structure of a bacterial light-regulated adenylyl cylcase | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Beta subunit of photoactivated adenylyl cyclase, MAGNESIUM ION | 著者 | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | 登録日 | 2016-11-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6Y9C
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![BU of 6y9c by Molmil](/molmil-images/mine/6y9c) | The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer | 分子名称: | CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | 著者 | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | 登録日 | 2020-03-06 | 公開日 | 2021-03-31 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site. Febs J., 2023
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6T0G
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![BU of 6t0g by Molmil](/molmil-images/mine/6t0g) | Crystal structure of CYP124 in complex with vitamin D3 | 分子名称: | (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, MAGNESIUM ION, Methyl-branched lipid omega-hydroxylase, ... | 著者 | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | 登録日 | 2019-10-03 | 公開日 | 2020-10-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol., 433, 2021
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7QE3
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![BU of 7qe3 by Molmil](/molmil-images/mine/7qe3) | Se-M variant of B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc | 分子名称: | (2S)-hexane-1,2,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ... | 著者 | Notova, S, Varrot, A. | 登録日 | 2021-12-01 | 公開日 | 2022-09-14 | 最終更新日 | 2022-09-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3. Commun Biol, 5, 2022
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5MJ2
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![BU of 5mj2 by Molmil](/molmil-images/mine/5mj2) | Extracellular domain of human CD83 - rhombohedral crystal form after UV-RIP (S-SAD data) | 分子名称: | CD83 antigen, DI(HYDROXYETHYL)ETHER | 著者 | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | 登録日 | 2016-11-29 | 公開日 | 2017-03-29 | 最終更新日 | 2018-03-07 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. J. Mol. Biol., 429, 2017
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6YM2
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![BU of 6ym2 by Molmil](/molmil-images/mine/6ym2) | Crystal structure of YTHDC1 with compound ADO_AC_25 | 分子名称: | SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine | 著者 | Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A. | 登録日 | 2020-04-07 | 公開日 | 2021-04-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of YTHDC1 with compound ADO_AC_25 To Be Published
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7QLP
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![BU of 7qlp by Molmil](/molmil-images/mine/7qlp) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | 登録日 | 2021-12-20 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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8UZ7
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![BU of 8uz7 by Molmil](/molmil-images/mine/8uz7) | Crystal structure of a novel triose phosphate isomerase identified on the shrimp transcriptome | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Triosephosphate isomerase | 著者 | Sotelo-Mundo, R.R, Gomez-Yanes, A.C, Lopez-Zavala, A.A, Lopez-Garcia, J.A, Ochoa-Leyva, A. | 登録日 | 2023-11-14 | 公開日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of a novel triose phosphate isomerase from shrimp To Be Published
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7STG
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![BU of 7stg by Molmil](/molmil-images/mine/7stg) | |
7QYV
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![BU of 7qyv by Molmil](/molmil-images/mine/7qyv) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 109 | 分子名称: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-29 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7SR5
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![BU of 7sr5 by Molmil](/molmil-images/mine/7sr5) | |
5MIX
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![BU of 5mix by Molmil](/molmil-images/mine/5mix) | |
7T17
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![BU of 7t17 by Molmil](/molmil-images/mine/7t17) | |
7O1E
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![BU of 7o1e by Molmil](/molmil-images/mine/7o1e) | |
4Y7M
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![BU of 4y7m by Molmil](/molmil-images/mine/4y7m) | T6SS protein TssM C-terminal domain (835-1129) from EAEC | 分子名称: | Hi113 protein, SULFATE ION, Type VI secretion protein IcmF | 著者 | Nguyen, V.S, Spinelli, S, Durand, E, Roussel, A, Cambillau, C. | 登録日 | 2015-02-15 | 公開日 | 2015-08-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Biogenesis and structure of a type VI secretion membrane core complex. Nature, 523, 2015
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5MA9
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![BU of 5ma9 by Molmil](/molmil-images/mine/5ma9) | GFP-binding DARPin fusion gc_R11 | 分子名称: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | 著者 | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | 登録日 | 2016-11-03 | 公開日 | 2017-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity. Sci Rep, 7, 2017
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6PJH
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![BU of 6pjh by Molmil](/molmil-images/mine/6pjh) | HIV-1 Protease NL4-3 WT in Complex with LR3-28 | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | 著者 | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | 登録日 | 2019-06-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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7SSH
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![BU of 7ssh by Molmil](/molmil-images/mine/7ssh) | |
7QNK
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![BU of 7qnk by Molmil](/molmil-images/mine/7qnk) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | 分子名称: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | 著者 | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | 登録日 | 2021-12-21 | 公開日 | 2022-07-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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7O1F
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7B8H
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![BU of 7b8h by Molmil](/molmil-images/mine/7b8h) | Monoclinic structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Casein kinase II subunit alpha, GLYCEROL, ... | 著者 | Niefind, K, Schnitzler, A. | 登録日 | 2020-12-12 | 公開日 | 2021-02-03 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin. Eur.J.Med.Chem., 214, 2021
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7QVT
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![BU of 7qvt by Molmil](/molmil-images/mine/7qvt) | BAZ2A bromodomain in complex with picolinamide derivative fragment 13 | 分子名称: | 1,2-ETHANEDIOL, 4-piperidin-4-yloxypyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-23 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7QXL
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![BU of 7qxl by Molmil](/molmil-images/mine/7qxl) | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 77 | 分子名称: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | 著者 | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | 登録日 | 2022-01-26 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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6MZ2
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![BU of 6mz2 by Molmil](/molmil-images/mine/6mz2) | |