7A74
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![BU of 7a74 by Molmil](/molmil-images/mine/7a74) | Structure of G132N BlaC from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Two beta-Lactamase Variants with Reduced Clavulanic Acid Inhibition Display Different Millisecond Dynamics. Antimicrob.Agents Chemother., 65, 2021
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5AR2
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![BU of 5ar2 by Molmil](/molmil-images/mine/5ar2) | RIP2 Kinase Catalytic Domain (1 - 310) | Descriptor: | CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-23 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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4XDH
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![BU of 4xdh by Molmil](/molmil-images/mine/4xdh) | Crystal Structure of Quinone Reductase II in complex with a 2-(4-methoxy-phenyl)-5-methoxy-indol-3-one molecule | Descriptor: | 5-methoxy-2-(4-methoxyphenyl)-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | Deposit date: | 2014-12-19 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives. Molecules, 22, 2017
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5M30
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![BU of 5m30 by Molmil](/molmil-images/mine/5m30) | Structure of TssK from T6SS EAEC in complex with nanobody nb18 | Descriptor: | Anti-vesicular stomatitis virus N VHH, Type VI secretion protein | Authors: | Nguyen, V.S, Cambillau, C, Spinelli, C, Desmyter, A, Legrand, P, Cascales, E. | Deposit date: | 2016-10-13 | Release date: | 2017-06-21 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex. Nat Microbiol, 2, 2017
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1ASQ
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![BU of 1asq by Molmil](/molmil-images/mine/1asq) | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ... | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | Deposit date: | 1992-11-25 | Release date: | 1994-01-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms. J.Mol.Biol., 230, 1993
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5AWS
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5AP6
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![BU of 5ap6 by Molmil](/molmil-images/mine/5ap6) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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5AR7
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![BU of 5ar7 by Molmil](/molmil-images/mine/5ar7) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea | Descriptor: | 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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3MZZ
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![BU of 3mzz by Molmil](/molmil-images/mine/3mzz) | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus | Descriptor: | Rhodanese-like domain protein | Authors: | Kim, Y, Chruszcz, M, Minor, W, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-13 | Release date: | 2010-06-30 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus To be Published
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5IKP
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![BU of 5ikp by Molmil](/molmil-images/mine/5ikp) | Crystal structure of human brain glycogen phosphorylase bound to AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Glycogen phosphorylase, brain form, ... | Authors: | Mathieu, C, Li de la Sierra-Gallay, I, Xu, X, Haouz, A, Rodrigues-Lima, F. | Deposit date: | 2016-03-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Insights into Brain Glycogen Metabolism: THE STRUCTURE OF HUMAN BRAIN GLYCOGEN PHOSPHORYLASE. J.Biol.Chem., 291, 2016
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5LGN
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![BU of 5lgn by Molmil](/molmil-images/mine/5lgn) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-07 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J. Med. Chem., 60, 2017
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3VXS
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![BU of 3vxs by Molmil](/molmil-images/mine/3vxs) | The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(6L) peptide | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, H27-14 TCR alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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4Y1M
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![BU of 4y1m by Molmil](/molmil-images/mine/4y1m) | |
3VXP
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![BU of 3vxp by Molmil](/molmil-images/mine/3vxp) | HLA-A24 in complex with HIV-1 Nef134-10(6L) | Descriptor: | 10-mer peptide from Protein Nef, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A. | Deposit date: | 2012-09-20 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of TCR and antigen complexes at an immunodominant CTL epitope in HIV-1 infection SCI REP, 3, 2013
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5BMF
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![BU of 5bmf by Molmil](/molmil-images/mine/5bmf) | Crystal Structure of a Theophylline binding antibody Fab fragment | Descriptor: | 2-(5-{1-[1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-4,15-dioxo-8,11-dioxa-5,14-diazaicosan-20-yl]-3,3-dimethyl-6-sulfo-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl)-1-ethyl-3,3-dimethyl-3H-indolium-5-sulfonate, Fab fragment heavy chain, Fab fragment light chain | Authors: | Bujotzek, A, Fuchs, A, Changtao, Q, Klostermann, S, Benz, J, Antes, I, Dengl, S, Hoffmann, E, Georges, G. | Deposit date: | 2015-05-22 | Release date: | 2015-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | MoFvAb: Modeling the Fv region of antibodies. Mabs, 7, 2015
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8TU9
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![BU of 8tu9 by Molmil](/molmil-images/mine/8tu9) | Cryo-EM structure of HGSNAT-acetyl-CoA complex at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, Enhanced green fluorescent protein,Heparan-alpha-glucosaminide N-acetyltransferase,Isoform 2 of Heparan-alpha-glucosaminide N-acetyltransferase | Authors: | Navratna, V, Kumar, A, Mosalaganti, S. | Deposit date: | 2023-08-15 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.26 Å) | Cite: | Structure of the human heparan-alpha-glucosaminide N-acetyltransferase (HGSNAT) eLife, 13, 2024
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5BNG
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![BU of 5bng by Molmil](/molmil-images/mine/5bng) | monomer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA | Descriptor: | DNA (5'-D(P*AP*AP*TP*TP*AP*GP*CP*TP*GP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A-3'), ... | Authors: | Morgunova, E, Jolma, A, Yin, Y, Nitta, K, Dave, K, Popov, A, Taipale, M, Enge, M, Kivioja, T, Taipale, J. | Deposit date: | 2015-05-26 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | DNA-dependent formation of transcription factor pairs alters their binding specificity. Nature, 527, 2015
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4XCC
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![BU of 4xcc by Molmil](/molmil-images/mine/4xcc) | |
5BOJ
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![BU of 5boj by Molmil](/molmil-images/mine/5boj) | Crystal Structure of Human Transthyretin in Complex with Gemfibrozil | Descriptor: | 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid, SODIUM ION, Transthyretin | Authors: | Begum, A, Olofsson, A, Sauer-Eriksson, A.E. | Deposit date: | 2015-05-27 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma. J.Med.Chem., 58, 2015
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3MV0
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![BU of 3mv0 by Molmil](/molmil-images/mine/3mv0) | E. COLI (lacZ) BETA-GALACTOSIDASE (R599A) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | Authors: | Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E. | Deposit date: | 2010-05-03 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Importance of Arg-599 of b-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop Biochem.Cell Biol., 88, 2010
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3I6Y
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![BU of 3i6y by Molmil](/molmil-images/mine/3i6y) | Structure of an esterase from the oil-degrading bacterium Oleispira antarctica | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-07-07 | Release date: | 2009-07-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and activity of the cold-active and anion-activated carboxyl esterase OLEI01171 from the oil-degrading marine bacterium Oleispira antarctica. Biochem.J., 445, 2012
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7A72
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![BU of 7a72 by Molmil](/molmil-images/mine/7a72) | Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam | Descriptor: | ACETATE ION, Beta-lactamase, GLYCEROL, ... | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-27 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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3N1B
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![BU of 3n1b by Molmil](/molmil-images/mine/3n1b) | C-terminal domain of Vps54 subunit of the GARP complex | Descriptor: | Vacuolar protein sorting-associated protein 54 | Authors: | Perez-Victoria, F.J, Abascal-Palacios, G, Tascon, I, Kajava, A, Pioro, E.P, Bonifacino, J.S, Hierro, A. | Deposit date: | 2010-05-15 | Release date: | 2010-07-14 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis for the wobbler mouse neurodegenerative disorder caused by mutation in the Vps54 subunit of the GARP complex. Proc.Natl.Acad.Sci.USA, 107, 2010
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7A5W
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![BU of 7a5w by Molmil](/molmil-images/mine/7a5w) | Structure of D172N BlaC from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Chikunova, A, Ahmad, M.U, Perrakis, A, Ubbink, M. | Deposit date: | 2020-08-24 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The G132S Mutation Enhances the Resistance of Mycobacterium tuberculosis beta-Lactamase against Sulbactam. Biochemistry, 60, 2021
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8CE2
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![BU of 8ce2 by Molmil](/molmil-images/mine/8ce2) | X-ray structure of the adduct formed upon reaction of a B-DNA double helical dodecamer with dirhodium tetraacetate | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A. | Deposit date: | 2023-02-01 | Release date: | 2023-05-31 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Dirhodium tetraacetate binding to a B-DNA double helical dodecamer probed by X-ray crystallography and mass spectrometry. Dalton Trans, 52, 2023
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