5OTD
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![BU of 5otd by Molmil](/molmil-images/mine/5otd) | The crystal structure of CK2alpha in complex with compound 25 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-21 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6RKG
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![BU of 6rkg by Molmil](/molmil-images/mine/6rkg) | 1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5 | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-04-30 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme. Chemistry, 25, 2019
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6A7U
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![BU of 6a7u by Molmil](/molmil-images/mine/6a7u) | Crystal structure of histone H2A.Bbd-H2B dimer | Descriptor: | Histone H2B type 2-E,Histone H2A-Bbd type 2/3 | Authors: | Dai, L, Zhou, Z. | Deposit date: | 2018-07-04 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the histone heterodimer containing histone variant H2A.Bbd. Biochem. Biophys. Res. Commun., 503, 2018
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3GSE
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![BU of 3gse by Molmil](/molmil-images/mine/3gse) | Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92 | Descriptor: | Menaquinone-specific isochorismate synthase, SULFATE ION | Authors: | Nocek, B, Gu, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-03-26 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of menaquinone-specific isochorismate synthase from Yersinia pestis CO92 To be Published
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5OTQ
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![BU of 5otq by Molmil](/molmil-images/mine/5otq) | The crystal structure of CK2alpha in complex with compound 33 | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6S5H
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![BU of 6s5h by Molmil](/molmil-images/mine/6s5h) | Structure of the human RAB38 in complex with GTP | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2019-07-01 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the human RAB38 in complex with GTP To Be Published
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5OTZ
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![BU of 5otz by Molmil](/molmil-images/mine/5otz) | The crystal structure of CK2alpha in complex with compound 1 | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine, ... | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2017-08-22 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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3GMZ
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![BU of 3gmz by Molmil](/molmil-images/mine/3gmz) | |
6RMK
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![BU of 6rmk by Molmil](/molmil-images/mine/6rmk) | Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays | Descriptor: | Bacteriorhodopsin, RETINAL | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I. | Deposit date: | 2019-05-07 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin. Nat Commun, 10, 2019
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3GOZ
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![BU of 3goz by Molmil](/molmil-images/mine/3goz) | Crystal structure of the leucine-rich repeat-containing protein LegL7 from Legionella pneumophila. Northeast Structural Genomics Consortium target LgR148 | Descriptor: | Leucine-rich repeat-containing protein | Authors: | Vorobiev, S.M, Abashidze, M, Seetharaman, J, Belote, R.L, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2009-03-20 | Release date: | 2009-03-31 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Crystal structure of the leucine-rich repeat-containing protein LegL7 from Legionella pneumophila. Northeast Structural Genomics Consortium target LgR148. To be Published
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5OUT
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![BU of 5out by Molmil](/molmil-images/mine/5out) | |
7ZE9
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![BU of 7ze9 by Molmil](/molmil-images/mine/7ze9) | Structure of an AA16 LPMO-like protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ... | Authors: | Huang, Z, Banerjee, S, Muderspach, S.J, Sun, P, van Berkel, W.J.H, Kabel, M.A, Lo Leggio, L. | Deposit date: | 2022-03-30 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.646 Å) | Cite: | AA16 Oxidoreductases Boost Cellulose-Active AA9 Lytic Polysaccharide Monooxygenases from Myceliophthora thermophila. Acs Catalysis, 13, 2023
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3GPM
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![BU of 3gpm by Molmil](/molmil-images/mine/3gpm) | Structure of the trimeric form of the E113G PCNA mutant protein | Descriptor: | Proliferating cell nuclear antigen | Authors: | Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T. | Deposit date: | 2009-03-23 | Release date: | 2009-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | A charged residue at the subunit interface of PCNA promotes trimer formation by destabilizing alternate subunit interactions. Acta Crystallogr.,Sect.D, 65, 2009
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3GUK
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![BU of 3guk by Molmil](/molmil-images/mine/3guk) | |
5OVK
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![BU of 5ovk by Molmil](/molmil-images/mine/5ovk) | Crystal structure MabA bound to NADPH from M. smegmatis | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M. | Deposit date: | 2017-08-29 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA. Acta Crystallogr D Struct Biol, 74, 2018
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3GQG
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![BU of 3gqg by Molmil](/molmil-images/mine/3gqg) | Crystal structure at acidic pH of the ferric form of the Root effect hemoglobin from Trematomus bernacchii. | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Franzese, M, Merlino, A, Bonomi, G, Mazzarella, L. | Deposit date: | 2009-03-24 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Correlation between hemichrome stability and the root effect in tetrameric hemoglobins. Biophys.J., 97, 2009
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5OWI
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![BU of 5owi by Molmil](/molmil-images/mine/5owi) | The dynamic dimer structure of the chaperone Trigger Factor (conformer 1) | Descriptor: | Trigger factor | Authors: | Morgado, L, Burmann, B.M, Sharpe, T, Mazur, A, Hiller, S. | Deposit date: | 2017-09-01 | Release date: | 2017-11-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The dynamic dimer structure of the chaperone Trigger Factor. Nat Commun, 8, 2017
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6RRD
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![BU of 6rrd by Molmil](/molmil-images/mine/6rrd) | RNA Polymerase I Pre-initiation complex DNA opening intermediate 1 | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Mueller, C.W, Sadian, Y, Tafur, L. | Deposit date: | 2019-05-17 | Release date: | 2019-12-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular insight into RNA polymerase I promoter recognition and promoter melting. Nat Commun, 10, 2019
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6RJ8
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![BU of 6rj8 by Molmil](/molmil-images/mine/6rj8) | Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-04-26 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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6RLU
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![BU of 6rlu by Molmil](/molmil-images/mine/6rlu) | Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine | Descriptor: | 5'-O-(N-(L-seryl)-sulfamoyl)cytidine, GLYCEROL, MALONATE ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2019-05-02 | Release date: | 2020-01-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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6RXC
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![BU of 6rxc by Molmil](/molmil-images/mine/6rxc) | Leishmania major pteridine reductase 1 (LmPTR1) in complex with inhibitor 4 (NMT-C0026) | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1, methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate | Authors: | Di Pisa, F, Dello Iacono, L, Pozzi, C, Mangani, S. | Deposit date: | 2019-06-07 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J.Med.Chem., 65, 2022
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6RYR
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![BU of 6ryr by Molmil](/molmil-images/mine/6ryr) | Nucleosome-CHD4 complex structure (single CHD4 copy) | Descriptor: | Chromodomain-helicase-DNA-binding protein 4,Chromodomain-helicase-DNA-binding protein 4,Chromodomain-helicase-DNA-binding protein 4, DNA (149-MER), Histone H2A type 1, ... | Authors: | Farnung, L, Ochmann, M, Cramer, P. | Deposit date: | 2019-06-11 | Release date: | 2020-07-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Nucleosome-CHD4 chromatin remodeller structure maps human disease mutations. Elife, 9, 2020
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6RQT
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![BU of 6rqt by Molmil](/molmil-images/mine/6rqt) | RNA Polymerase I-tWH-Rrn3-DNA | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Mueller, C.W, Sadian, Y, Tafur, L. | Deposit date: | 2019-05-16 | Release date: | 2019-12-11 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Molecular insight into RNA polymerase I promoter recognition and promoter melting. Nat Commun, 10, 2019
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6RS7
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![BU of 6rs7 by Molmil](/molmil-images/mine/6rs7) | X-ray crystal structure of LsAA9B (deglycosylated form) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ... | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2019-05-21 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases. J.Biol.Chem., 294, 2019
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7YS6
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![BU of 7ys6 by Molmil](/molmil-images/mine/7ys6) | Cryo-EM structure of the Serotonin 6 (5-HT6) receptor-DNGs-scFv16 complex | Descriptor: | 5-hydroxytryptamine receptor 6, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, Q.Y, Wang, Y.F, He, L, Wang, S, Cong, Y. | Deposit date: | 2022-08-11 | Release date: | 2023-03-29 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into constitutive activity of 5-HT 6 receptor. Proc.Natl.Acad.Sci.USA, 120, 2023
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