6V62
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![BU of 6v62 by Molmil](/molmil-images/mine/6v62) | SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine | Descriptor: | 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2019-12-04 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation. J.Biol.Chem., 295, 2020
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6UTE
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![BU of 6ute by Molmil](/molmil-images/mine/6ute) | Crystal structure of Z032 Fab in complex with WNV EDIII | Descriptor: | Envelope domain III, GLYCEROL, Z032 Fab heavy chain, ... | Authors: | Esswein, S.R, Gristick, H.B, Keeffe, J.R, Bjorkman, P.J. | Deposit date: | 2019-10-29 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for Zika envelope domain III recognition by a germline version of a recurrent neutralizing antibody. Proc.Natl.Acad.Sci.USA, 117, 2020
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7NJZ
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![BU of 7njz by Molmil](/molmil-images/mine/7njz) | X-ray crystallography study of RoAb13 which binds to PIYDIN, a part of the CCR5 N terminal domain | Descriptor: | Antibody RoAb13 Heavy Chain, Antibody RoAb13 Light Chain, Region from C-C chemokine receptor type 5 N-terminal domain | Authors: | Helliwell, J.R, Chayen, N, Saridakis, E, Govada, L. | Deposit date: | 2021-02-17 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray crystallographic studies of RoAb13 bound to PIYDIN, a part of the N-terminal domain of C-C chemokine receptor 5. Iucrj, 8, 2021
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6UYA
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![BU of 6uya by Molmil](/molmil-images/mine/6uya) | Crystal structure of Compound 19 bound to IRAK4 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | Deposit date: | 2019-11-12 | Release date: | 2019-11-20 | Last modified: | 2020-04-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity. Acs Med.Chem.Lett., 11, 2020
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3J34
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![BU of 3j34 by Molmil](/molmil-images/mine/3j34) | Structure of HIV-1 Capsid Protein by Cryo-EM | Descriptor: | capsid protein | Authors: | Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P. | Deposit date: | 2013-02-23 | Release date: | 2013-05-29 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature, 497, 2013
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5CEI
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![BU of 5cei by Molmil](/molmil-images/mine/5cei) | Crystal structure of CDK8:Cyclin C complex with compound 22 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide, Cyclin-C, ... | Authors: | Kiefer, J.R, Schneider, E.V, Maskos, K, Koehler, M.F.T. | Deposit date: | 2015-07-06 | Release date: | 2016-02-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Development of a Potent, Specific CDK8 Kinase Inhibitor Which Phenocopies CDK8/19 Knockout Cells. Acs Med.Chem.Lett., 7, 2016
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7OI1
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![BU of 7oi1 by Molmil](/molmil-images/mine/7oi1) | |
5CHH
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![BU of 5chh by Molmil](/molmil-images/mine/5chh) | Crystal structure of transcriptional regulator CdpR from Pseudomonas aeruginosa | Descriptor: | AraC family transcriptional regulator | Authors: | Zhao, J.R, Yu, X, Zhu, M, Kang, H.P, Kong, W.N, Ma, J.B, Deng, X, Gan, J.H, Liang, H.H. | Deposit date: | 2015-07-10 | Release date: | 2016-05-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Molecular Mechanism of CdpR Involved in Quorum-Sensing and Bacterial Virulence in Pseudomonas aeruginosa Plos Biol., 14, 2016
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2C6P
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![BU of 2c6p by Molmil](/molmil-images/mine/2c6p) | Membrane-bound glutamate carboxypeptidase II (GCPII) in complex with phosphate anion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Mesters, J.R, Barinka, C, Li, W, Tsukamoto, T, Majer, P, Slusher, B.S, Konvalinka, J, Hilgenfeld, R. | Deposit date: | 2005-11-11 | Release date: | 2006-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of Glutamate Carboxypeptidase II, a Drug Target in Neuronal Damage and Prostate Cancer. Embo J., 25, 2006
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5DVK
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![BU of 5dvk by Molmil](/molmil-images/mine/5dvk) | Fc Design 7.7 B chain homodimer T366V/K409I | Descriptor: | Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW5
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4FNJ
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3ECI
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![BU of 3eci by Molmil](/molmil-images/mine/3eci) | Microtubule-associated protein 1 light chain 3 alpha isoform A (MAP1ALC3) | Descriptor: | Microtubule-associated protein 1 light chain 3 alpha | Authors: | Walker, J.R, Davis, T.L, Mujib, S, Butler-Cole, C, Tempel, W, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S. | Deposit date: | 2008-08-30 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Human Autophagy-Related Protein LC3 A To be Published
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5E0E
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3J3I
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![BU of 3j3i by Molmil](/molmil-images/mine/3j3i) | Penicillium chrysogenum virus (PcV) capsid structure | Descriptor: | Capsid protein | Authors: | Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R. | Deposit date: | 2013-03-08 | Release date: | 2014-05-14 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage. Proc.Natl.Acad.Sci.USA, 111, 2014
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2CKU
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3MO2
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![BU of 3mo2 by Molmil](/molmil-images/mine/3mo2) | human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | Authors: | Chang, Y, Horton, J.R, Cheng, X. | Deposit date: | 2010-04-22 | Release date: | 2010-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases. J.Mol.Biol., 400, 2010
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4L5C
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![BU of 4l5c by Molmil](/molmil-images/mine/4l5c) | Methylthioadenosine phosphorylase from Schistosoma mansoni in complex with adenine in space group P212121 | Descriptor: | ADENINE, GLYCEROL, S-methyl-5'-thioadenosine phosphorylase | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2013-06-10 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.075 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. Plos Negl Trop Dis, 10, 2016
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4FHT
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![BU of 4fht by Molmil](/molmil-images/mine/4fht) | Crystal Structure of the PcaV transcriptional regulator from Streptomyces coelicolor in complex with its natural ligand | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, PcaV transcriptional regulator | Authors: | Brown, B.L, Davis, J.R, Sello, J.K, Page, R. | Deposit date: | 2012-06-06 | Release date: | 2013-04-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Study of PcaV from Streptomyces coelicolor yields new insights into ligand-responsive MarR family transcription factors. Nucleic Acids Res., 41, 2013
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5EFS
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![BU of 5efs by Molmil](/molmil-images/mine/5efs) | The crystal structure of human kynurenine aminotransferase II | Descriptor: | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | Authors: | Nematollahi, A, Sun, G, Kwan, A, Harrop, S.J, Hanrahan, J.R, Nadvi, N.A, Church, W.B. | Deposit date: | 2015-10-26 | Release date: | 2015-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82503 Å) | Cite: | The crystal structure of human kynurenine aminotransferase II To Be Published
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2FL3
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![BU of 2fl3 by Molmil](/molmil-images/mine/2fl3) | Binary Complex of Restriction Endonuclease HinP1I with Cognate DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*CP*GP*CP*TP*GP*G)-3', R.HinP1I Restriction Endonuclease | Authors: | Horton, J.R. | Deposit date: | 2006-01-05 | Release date: | 2006-02-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | DNA nicking by HinP1I endonuclease: bending, base flipping and minor groove expansion. Nucleic Acids Res., 34, 2006
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3CD1
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3BZH
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![BU of 3bzh by Molmil](/molmil-images/mine/3bzh) | Crystal structure of human ubiquitin-conjugating enzyme E2 E1 | Descriptor: | GLYCEROL, Ubiquitin-conjugating enzyme E2 E1 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-18 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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5CT9
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![BU of 5ct9 by Molmil](/molmil-images/mine/5ct9) | G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 5% [BMIM][Cl] | Descriptor: | 1-butyl-3-methyl-1H-imidazol-3-ium, CHLORIDE ION, Esterase | Authors: | Nordwald, E.M, Plaks, J.G, Snell, J.R, Sousa, M.C, Kaar, J.L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure. Chembiochem, 16, 2015
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5EH2
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![BU of 5eh2 by Molmil](/molmil-images/mine/5eh2) | Human PRDM9 allele-A ZnF Domain with Associated Recombination Hotspot DNA Sequence III | Descriptor: | DNA (5'-D(*AP*CP*AP*CP*GP*TP*GP*GP*CP*TP*AP*GP*GP*GP*AP*GP*GP*CP*CP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*GP*CP*CP*TP*CP*CP*CP*TP*AP*GP*CP*CP*AP*CP*GP*TP*G)-3'), Histone-lysine N-methyltransferase PRDM9, ... | Authors: | Patel, A, Horton, J.R, Wilson, G.G, Zhang, X, Cheng, X. | Deposit date: | 2015-10-27 | Release date: | 2016-02-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for human PRDM9 action at recombination hot spots. Genes Dev., 30, 2016
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