5N4Q
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![BU of 5n4q by Molmil](/molmil-images/mine/5n4q) | Human myelin protein P2, mutant T51P | 分子名称: | D-MALATE, Myelin P2 protein, PALMITIC ACID, ... | 著者 | Ruskamo, S, Kursula, P. | 登録日 | 2017-02-11 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Molecular mechanisms of Charcot-Marie-Tooth neuropathy linked to mutations in human myelin protein P2. Sci Rep, 7, 2017
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5N70
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![BU of 5n70 by Molmil](/molmil-images/mine/5n70) | CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | 分子名称: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N7N
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![BU of 5n7n by Molmil](/molmil-images/mine/5n7n) | CRYSTAL STRUCTURE OF CATHEPSIN D ZYMOGEN FROM THE TICK IXODES RICINUS (IRCD1) | 分子名称: | AMMONIUM ION, Putative cathepsin d, SULFATE ION | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-21 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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5N8L
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![BU of 5n8l by Molmil](/molmil-images/mine/5n8l) | |
5DDQ
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![BU of 5ddq by Molmil](/molmil-images/mine/5ddq) | |
5DF6
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![BU of 5df6 by Molmil](/molmil-images/mine/5df6) | Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11, UNKNOWN ATOM OR ION, txnip | 著者 | Dong, A, Li, W, Tempel, W, Liu, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | 登録日 | 2015-08-26 | 公開日 | 2015-09-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Biochem.J., 473, 2016
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5NOL
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![BU of 5nol by Molmil](/molmil-images/mine/5nol) | Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "Closed" state | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cardiac muscle alpha actin 1, MAGNESIUM ION, ... | 著者 | Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E. | 登録日 | 2017-04-12 | 公開日 | 2017-07-19 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JRL
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![BU of 8jrl by Molmil](/molmil-images/mine/8jrl) | Crystal structure of P450 TleB with an indole alkaloid | 分子名称: | (2~{S})-~{N}-[(2~{S})-1-(4-fluoranyl-1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-sulfanyl-butanamide, Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Wang, J, Yan, W.P. | 登録日 | 2023-06-17 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Regulation of P450 TleB catalytic flow for the synthesis of sulfur-containing indole alkaloids by substrate structure-directed strategy. and protein engineering. Sci China Chem, 66, 2023
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5DGU
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![BU of 5dgu by Molmil](/molmil-images/mine/5dgu) | Crystal Structure of HIV-1 Protease Inhibitors Containing Substituted fused-Tetrahydropyranyl Tetrahydrofuran as P2-Ligand GRL-004-11A | 分子名称: | (3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | 著者 | Agniswamy, J, Wang, Y.-F, Weber, I.T. | 登録日 | 2015-08-28 | 公開日 | 2015-10-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Design, synthesis, biological evaluation and X-ray structural studies of HIV-1 protease inhibitors containing substituted fused-tetrahydropyranyl tetrahydrofuran as P2-ligands. Org.Biomol.Chem., 13, 2015
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5DI3
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![BU of 5di3 by Molmil](/molmil-images/mine/5di3) | Crystal structure of Arl13B in complex with Arl3 of Chlamydomonas reinhardtii | 分子名称: | ADP-ribosylation factor-like protein 13B, ADP-ribosylation factor-like protein 3, MAGNESIUM ION, ... | 著者 | Gotthardt, K, Lokaj, M, Falk, N, Koerner, C, Giessl, A, Wittinghofer, A. | 登録日 | 2015-08-31 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A G-protein activation cascade from Arl13B to Arl3 and implications for ciliary targeting of lipidated proteins. Elife, 4, 2015
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5DDR
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![BU of 5ddr by Molmil](/molmil-images/mine/5ddr) | |
5DE3
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5DJ7
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5DFS
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![BU of 5dfs by Molmil](/molmil-images/mine/5dfs) | Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome c, ... | 著者 | MOU, T.C, McClelland, L.J, Jeakins-Cooley, M.E, Goldes, M.E, SPRANG, S.R, BOWLER, B.E. | 登録日 | 2015-08-27 | 公開日 | 2016-03-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Disruption of a hydrogen bond network in human versus spider monkey cytochrome c affects heme crevice stability. J.Inorg.Biochem., 158, 2016
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8JUP
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5NU2
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8LYZ
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![BU of 8lyz by Molmil](/molmil-images/mine/8lyz) | |
5NUA
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![BU of 5nua by Molmil](/molmil-images/mine/5nua) | |
8LPR
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5NUN
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![BU of 5nun by Molmil](/molmil-images/mine/5nun) | Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP) | 分子名称: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | 著者 | Loch, J.I, Bonarek, P, Towrzydlo, M, Lazinskia, I, Szydlowska, J, Lewinski, K. | 登録日 | 2017-04-30 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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8KFP
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5BRY
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![BU of 5bry by Molmil](/molmil-images/mine/5bry) | HIV-1 wild Type protease with GRL-011-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, sulfonamide isostere derivate) | 分子名称: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | 著者 | Wang, Y.-F, Agniswamy, J, Weber, I.T. | 登録日 | 2015-06-01 | 公開日 | 2015-09-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies. J.Med.Chem., 58, 2015
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5LWR
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![BU of 5lwr by Molmil](/molmil-images/mine/5lwr) | Endothiapepsin in complex with a derivative of fragment 177 | 分子名称: | 1,2-ETHANEDIOL, 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, ACETATE ION, ... | 著者 | Ehrmann, F.R, Schiebel, J, Heine, A, Klebe, G. | 登録日 | 2016-09-19 | 公開日 | 2017-08-09 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | 主引用文献 | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angew. Chem. Int. Ed. Engl., 56, 2017
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5ARC
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![BU of 5arc by Molmil](/molmil-images/mine/5arc) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | 分子名称: | 5-methyl-2-(5-methylpyridin-2-yl)pyridine, CALCIUM ION, GLYCEROL, ... | 著者 | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | 登録日 | 2015-09-24 | 公開日 | 2016-09-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Cooperative Bio-Metallic Selectivity in a Tailored Protease Enables Creation of a C-C Cross-Coupling Heckase To be Published
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5LKV
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![BU of 5lkv by Molmil](/molmil-images/mine/5lkv) | |