6N4F
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![BU of 6n4f by Molmil](/molmil-images/mine/6n4f) | |
4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/4bul) | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | Descriptor: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | Authors: | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | Deposit date: | 2013-06-20 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases. Bioorg.Med.Chem.Lett., 23, 2013
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1J51
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![BU of 1j51 by Molmil](/molmil-images/mine/1j51) | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F/V247L/C334A) WITH 1,3,5-TRICHLOROBENZENE | Descriptor: | 1,3,5-TRICHLORO-BENZENE, CYTOCHROME P450CAM, POTASSIUM ION, ... | Authors: | Chen, X, Christopher, A, Jones, J, Guo, Q, Xu, F, Cao, R, Wong, L.L, Rao, Z. | Deposit date: | 2002-01-05 | Release date: | 2002-01-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene J.BIOL.CHEM., 277, 2002
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7MXL
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![BU of 7mxl by Molmil](/molmil-images/mine/7mxl) | |
7N0U
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![BU of 7n0u by Molmil](/molmil-images/mine/7n0u) | Complex of recombinant Bet v 1 with Fab fragment of REGN5713 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, REGN5713 Fab fragment heavy chain, REGN5713 Fab fragment light chain, ... | Authors: | Franklin, M.C, Romero Hernandez, A. | Deposit date: | 2021-05-26 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response. J.Allergy Clin.Immunol., 149, 2022
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7N0V
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![BU of 7n0v by Molmil](/molmil-images/mine/7n0v) | |
4QQN
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![BU of 4qqn by Molmil](/molmil-images/mine/4qqn) | Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
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3MYG
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![BU of 3myg by Molmil](/molmil-images/mine/3myg) | Aurora A Kinase complexed with SCH 1473759 | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | Deposit date: | 2010-05-10 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core. ACS Med Chem Lett, 1, 2010
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3SW8
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![BU of 3sw8 by Molmil](/molmil-images/mine/3sw8) | |
8ESB
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![BU of 8esb by Molmil](/molmil-images/mine/8esb) | |
8ES9
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![BU of 8es9 by Molmil](/molmil-images/mine/8es9) | CryoEM structure of PN45428 TCR-CD3 in complex with HLA-A2 MAGEA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Saotome, K, Franklin, M.C. | Deposit date: | 2022-10-13 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM. Nat Commun, 14, 2023
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8ESA
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![BU of 8esa by Molmil](/molmil-images/mine/8esa) | |
8ES8
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![BU of 8es8 by Molmil](/molmil-images/mine/8es8) | |
8ES7
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![BU of 8es7 by Molmil](/molmil-images/mine/8es7) | CryoEM structure of PN45545 TCR-CD3 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Saotome, K, Franklin, M.C. | Deposit date: | 2022-10-13 | Release date: | 2023-05-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Structural analysis of cancer-relevant TCR-CD3 and peptide-MHC complexes by cryoEM. Nat Commun, 14, 2023
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4OK3
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![BU of 4ok3 by Molmil](/molmil-images/mine/4ok3) | |
4OJQ
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![BU of 4ojq by Molmil](/molmil-images/mine/4ojq) | |
4OKS
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![BU of 4oks by Molmil](/molmil-images/mine/4oks) | |
4OK5
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![BU of 4ok5 by Molmil](/molmil-images/mine/4ok5) | |
4OK6
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![BU of 4ok6 by Molmil](/molmil-images/mine/4ok6) | |
2XEL
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![BU of 2xel by Molmil](/molmil-images/mine/2xel) | Molecular Mechanism of Pentachloropseudilin Mediated Inhibition of Myosin Motor Activity | Descriptor: | 2,4-DICHLORO-6-(3,4,5-TRICHLORO-1H-PYRROL-2YL)PHENOL, ADP METAVANADATE, MAGNESIUM ION, ... | Authors: | Chinthalapudi, K, Taft, M.H, Martin, R, Hartmann, F.K, Heissler, S.M, Tsiavaliaris, G, Gutzeit, H.O, Knoelker, H.J, Coluccio, L.M, Fedorov, R, Manstein, D.J. | Deposit date: | 2010-05-16 | Release date: | 2011-06-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism and Specificity of Pentachloropseudilin-Mediated Inhibition of Myosin Motor Activity. J.Biol.Chem., 286, 2011
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1QHL
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![BU of 1qhl by Molmil](/molmil-images/mine/1qhl) | |