1G0N
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![BU of 1g0n by Molmil](/molmil-images/mine/1g0n) | STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4,5,6,7-TETRACHLORO-PHTHALIDE | Descriptor: | 4,5,6,7-TETRACHLORO-PHTHALIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIHYDROXYNAPHTHALENE REDUCTASE | Authors: | Liao, D, Basarab, G.S, Gatenby, A.A, Valent, B, Jordan, D.B. | Deposit date: | 2000-10-06 | Release date: | 2001-06-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis. Structure, 9, 2001
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6O6A
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![BU of 6o6a by Molmil](/molmil-images/mine/6o6a) | Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, ligand-free state | Descriptor: | CHOLESTEROL HEMISUCCINATE, SODIUM ION, Transient receptor potential cation channel subfamily M member 8 | Authors: | Diver, M.M, Cheng, Y, Julius, D. | Deposit date: | 2019-03-05 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into TRPM8 inhibition and desensitization. Science, 365, 2019
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8GUB
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![BU of 8gub by Molmil](/molmil-images/mine/8gub) | Cryo-EM structure of cancer-specific PI3Kalpha mutant H1047R in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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6O7U
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![BU of 6o7u by Molmil](/molmil-images/mine/6o7u) | Saccharomyces cerevisiae V-ATPase Stv1-VO | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit a, Golgi isoform, ... | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | Deposit date: | 2019-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8GUD
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![BU of 8gud by Molmil](/molmil-images/mine/8gud) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-11-23 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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4X2J
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![BU of 4x2j by Molmil](/molmil-images/mine/4x2j) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2014-12-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4WX4
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![BU of 4wx4 by Molmil](/molmil-images/mine/4wx4) | Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ... | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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8GUA
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![BU of 8gua by Molmil](/molmil-images/mine/8gua) | Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2022-09-11 | Release date: | 2022-12-07 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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4WYZ
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![BU of 4wyz by Molmil](/molmil-images/mine/4wyz) | The crystal structure of the A109G mutant of RNase A in complex with 3'UMP | Descriptor: | 3'-URIDINEMONOPHOSPHATE, Ribonuclease pancreatic | Authors: | French, R.L, Gagne, D, Doucet, N, Simonovic, M. | Deposit date: | 2014-11-18 | Release date: | 2015-11-18 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Perturbation of the Conformational Dynamics of an Active-Site Loop Alters Enzyme Activity. Structure, 23, 2015
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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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1GA2
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![BU of 1ga2 by Molmil](/molmil-images/mine/1ga2) | THE CRYSTAL STRUCTURE OF ENDOGLUCANASE 9G FROM CLOSTRIDIUM CELLULOLYTICUM COMPLEXED WITH CELLOBIOSE | Descriptor: | ACETIC ACID, CALCIUM ION, ENDOGLUCANASE 9G, ... | Authors: | Mandelman, D, Belaich, A, Belaich, J.P, Aghajari, N, Driguez, H, Haser, R. | Deposit date: | 2000-11-29 | Release date: | 2003-07-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-Ray Crystal Structure of the Multidomain Endoglucanase Cel9G from Clostridium
cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides J.BACTERIOL., 185, 2003
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4WX6
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![BU of 4wx6 by Molmil](/molmil-images/mine/4wx6) | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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4WYN
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![BU of 4wyn by Molmil](/molmil-images/mine/4wyn) | |
8GPN
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![BU of 8gpn by Molmil](/molmil-images/mine/8gpn) | Human menin in complex with H3K79Me2 nucleosome | Descriptor: | DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D. | Deposit date: | 2022-08-26 | Release date: | 2023-02-15 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Menin "reads" H3K79me2 mark in a nucleosomal context. Science, 379, 2023
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6O6B
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![BU of 6o6b by Molmil](/molmil-images/mine/6o6b) | Rotavirus A-VP3 (RVA-VP3) | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Protein VP3 | Authors: | Kumar, D, Yu, X, Prasad, V, Wang, Z. | Deposit date: | 2019-03-05 | Release date: | 2020-03-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A sub-atomic resolution cryo-EM of full-length Rotavirus A-VP3 (RVA-VP3) To Be Published
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6O72
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![BU of 6o72 by Molmil](/molmil-images/mine/6o72) | Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, TC-I 2014-bound state | Descriptor: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(heptanoyloxy)methyl]ethyl octadecanoate, 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Diver, M.M, Cheng, Y, Julius, D. | Deposit date: | 2019-03-07 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into TRPM8 inhibition and desensitization. Science, 365, 2019
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6O7T
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![BU of 6o7t by Molmil](/molmil-images/mine/6o7t) | Saccharomyces cerevisiae V-ATPase Vph1-VO | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | Deposit date: | 2019-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1FTZ
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![BU of 1ftz by Molmil](/molmil-images/mine/1ftz) | NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE FUSHI TARAZU HOMEODOMAIN FROM DROSOPHILA AND COMPARISON WITH THE ANTENNAPEDIA HOMEODOMAIN | Descriptor: | FUSHI TARAZU PROTEIN | Authors: | Qian, Y.Q, Furukubo-Tokunaga, K, Resendez-Perez, D, Muller, M, Gehring, W.J, Wuthrich, K. | Deposit date: | 1994-01-07 | Release date: | 1994-05-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance solution structure of the fushi tarazu homeodomain from Drosophila and comparison with the Antennapedia homeodomain. J.Mol.Biol., 238, 1994
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8G62
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![BU of 8g62 by Molmil](/molmil-images/mine/8g62) | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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8GOP
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![BU of 8gop by Molmil](/molmil-images/mine/8gop) | SARS-CoV-2 specific private TCR RLQ7 | Descriptor: | SARS-CoV-2 specific private TCR RLQ7 alpha, SARS-CoV-2 specific private TCR RLQ7 beta | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2022-08-25 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity. J.Biol.Chem., 299, 2023
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6O9A
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![BU of 6o9a by Molmil](/molmil-images/mine/6o9a) | Crystal structure of MqnA complexed with 3-hydroxybenzoic acid | Descriptor: | 3-HYDROXYBENZOIC ACID, ACETATE ION, Chorismate dehydratase | Authors: | Hicks, K.A, Mahanta, N, Naseem, S, Fedoseyenko, D, Begley, T.P, Ealick, S.E. | Deposit date: | 2019-03-13 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Menaquinone Biosynthesis: Biochemical and Structural Studies of Chorismate Dehydratase. Biochemistry, 58, 2019
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8GOM
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![BU of 8gom by Molmil](/molmil-images/mine/8gom) | SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-HLA-A2 | Descriptor: | Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 specific private TCR RLQ7 alpha, ... | Authors: | Wu, D, Mariuzza, R.A. | Deposit date: | 2022-08-25 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.783 Å) | Cite: | Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity. J.Biol.Chem., 299, 2023
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8GON
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![BU of 8gon by Molmil](/molmil-images/mine/8gon) | |
4WTV
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![BU of 4wtv by Molmil](/molmil-images/mine/4wtv) | Crystal structure of the phosphatidylinositol 4-kinase IIbeta | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-beta,Endolysin,Phosphatidylinositol 4-kinase type 2-beta | Authors: | Klima, M, Baumlova, A, Chalupska, D, Boura, E. | Deposit date: | 2014-10-30 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design. Acta Crystallogr.,Sect.D, 71, 2015
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8G88
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![BU of 8g88 by Molmil](/molmil-images/mine/8g88) | Human Oct4 bound to nucleosome with human nMatn1 sequence | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | Authors: | Sinha, K.K, Bilokapic, S, Du, Y, Malik, D, Halic, M. | Deposit date: | 2023-02-17 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Histone modifications regulate pioneer transcription factor cooperativity. Nature, 619, 2023
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