6QMP
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![BU of 6qmp by Molmil](/molmil-images/mine/6qmp) | NF-YB/C Heterodimer in Complex with NF-YA Peptide | Descriptor: | Nuclear transcription factor Y subunit alpha, Nuclear transcription factor Y subunit beta, Nuclear transcription factor Y subunit gamma | Authors: | Kiehstaller, S, Jeganathan, S, Pearce, N.M, Wendt, M, Grossmann, T.N, Hennig, S. | Deposit date: | 2019-02-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Constrained Peptides with Fine-Tuned Flexibility Inhibit NF-Y Transcription Factor Assembly. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QMV
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![BU of 6qmv by Molmil](/molmil-images/mine/6qmv) | E87D sulfur oxygenase reductase | Descriptor: | Sulfur oxygenase/reductase | Authors: | Frazao, C, Klezin, A, Veith, A. | Deposit date: | 2019-02-08 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels To Be Published
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6QRT
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![BU of 6qrt by Molmil](/molmil-images/mine/6qrt) | X-ray radiation dose series on xylose isomerase - 1.38 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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4V1D
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![BU of 4v1d by Molmil](/molmil-images/mine/4v1d) | Ternary complex among two human derived single chain antibody fragments and Cn2 toxin from scorpion Centruroides noxius. | Descriptor: | BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN, ... | Authors: | Riano-Umbarila, L, Serrano-Posada, H, Rojas-Trejo, S, Rudino-Pinera, E, Becerril, B. | Deposit date: | 2014-09-25 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Optimal Neutralization of Centruroides Noxius Venom is Understood Through a Structural Complex between Two Antibody Fragments and the Cn2 Toxin. J.Biol.Chem., 291, 2016
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6QTJ
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![BU of 6qtj by Molmil](/molmil-images/mine/6qtj) | Crystal structure of human CDK8/CYCC in complex with BI 919811 | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide | Authors: | Boettcher, J. | Deposit date: | 2019-02-25 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Mol.Cancer Ther., 19, 2020
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5W9M
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![BU of 5w9m by Molmil](/molmil-images/mine/5w9m) | |
6QTR
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![BU of 6qtr by Molmil](/molmil-images/mine/6qtr) | |
6QTY
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4U6I
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![BU of 4u6i by Molmil](/molmil-images/mine/4u6i) | Crystal Structure of the EutL Microcompartment Shell Protein from Clostridium Perfringens Bound to Vitamin B12 | Descriptor: | COBALAMIN, Ethanolamine utilization protein EutL, SODIUM ION | Authors: | Thompson, M.C, Crowley, C.S, Kopstein, J.S, Yeates, T.O. | Deposit date: | 2014-07-29 | Release date: | 2014-10-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of a bacterial microcompartment shell protein bound to a cobalamin cofactor. Acta Crystallogr.,Sect.F, 70, 2014
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6QLR
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![BU of 6qlr by Molmil](/molmil-images/mine/6qlr) | Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-02-01 | Release date: | 2019-07-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions. Chemmedchem, 14, 2019
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6QLY
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![BU of 6qly by Molmil](/molmil-images/mine/6qly) | IDOL FERM domain | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase MYLIP, SULFATE ION | Authors: | Martinelli, L, Sixma, T.K. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of the LDL receptor-interacting FERM domain in the E3 ubiquitin ligase IDOL reveals an obscured substrate-binding site. J.Biol.Chem., 295, 2020
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1EVU
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![BU of 1evu by Molmil](/molmil-images/mine/1evu) | HUMAN FACTOR XIII WITH CALCIUM BOUND IN THE ION SITE | Descriptor: | CALCIUM ION, COAGULATION FACTOR XIII, S-1,2-PROPANEDIOL | Authors: | Garzon, R.J, Pratt, K.P, Bishop, P.D, Le Trong, I, Stenkamp, R.E, Teller, D.C. | Deposit date: | 2000-04-20 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Tryptophan 279 is Essential for the Transglutaminase Activity of Coagulation Factor XIII: Functional and Structural Characterization To Be Published
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6QP0
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6QM4
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![BU of 6qm4 by Molmil](/molmil-images/mine/6qm4) | Cryo-EM structure of calcium-free nhTMEM16 lipid scramblase in nanodisc | Descriptor: | Predicted protein | Authors: | Kalienkova, V, Clerico Mosina, V, Bryner, L, Oostergetel, G.T, Dutzler, R, Paulino, C. | Deposit date: | 2019-02-01 | Release date: | 2019-03-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Stepwise activation mechanism of the scramblase nhTMEM16 revealed by cryo-EM. Elife, 8, 2019
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6QME
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![BU of 6qme by Molmil](/molmil-images/mine/6qme) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-(4-chloranyl-3-methyl-phenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6QMK
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![BU of 6qmk by Molmil](/molmil-images/mine/6qmk) | Small molecule inhibitor of the KEAP1-NRF2 protein-protein interaction | Descriptor: | (3~{S})-3-[3-[[1,1-bis(oxidanylidene)-3,4-dihydro-5,1$l^{6},2-benzoxathiazepin-2-yl]methyl]-4-methyl-phenyl]-3-(7-methoxy-1-methyl-benzotriazol-5-yl)propanoic acid, CHLORIDE ION, Kelch-like ECH-associated protein 1 | Authors: | Davies, T.G. | Deposit date: | 2019-02-07 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction. J.Med.Chem., 62, 2019
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6QPN
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![BU of 6qpn by Molmil](/molmil-images/mine/6qpn) | Adenovirus species D serotype 49 Fiber-Knob | Descriptor: | Fiber, SULFATE ION | Authors: | Baker, A.T, Rizkallah, P.J. | Deposit date: | 2019-02-14 | Release date: | 2020-08-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The Fiber Knob Protein of Human Adenovirus Type 49 Mediates
Highly Efficient and Promiscuous Infection of Cancer Cell Lines
Using a Novel Cell Entry Mechanism Journal of Virology, 95, 2021
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6DOO
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6QNE
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![BU of 6qne by Molmil](/molmil-images/mine/6qne) | |
6QQ3
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![BU of 6qq3 by Molmil](/molmil-images/mine/6qq3) | The room temperature structure of lysozyme via the acoustic levitation of a droplet | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Axford, D.N, Docker, P, Dye, E, Morris, R. | Deposit date: | 2019-02-17 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Non-Contact Universal Sample Presentation for Room Temperature Macromolecular Crystallography Using Acoustic Levitation. Sci Rep, 9, 2019
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6DPJ
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6QO0
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4UT0
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![BU of 4ut0 by Molmil](/molmil-images/mine/4ut0) | THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 10 DAYS INCUBATION IN 5MM MN (STATE 7) | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*CP)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', ... | Authors: | Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G. | Deposit date: | 2014-07-17 | Release date: | 2014-12-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease. Nat.Struct.Mol.Biol., 22, 2015
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4U9V
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4V96
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![BU of 4v96 by Molmil](/molmil-images/mine/4v96) | The structure of a 1.8 MDa viral genome injection device suggests alternative infection mechanisms | Descriptor: | BPP, ORF46, ORF48 | Authors: | Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V, van Sinderen, D, Cambillau, C. | Deposit date: | 2012-02-01 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism. Proc.Natl.Acad.Sci.USA, 109, 2012
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