5JDA
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![BU of 5jda by Molmil](/molmil-images/mine/5jda) | Bacillus cereus CotH kinase plus Mg2+/AMP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A. | Deposit date: | 2016-04-15 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Phosphorylation of spore coat proteins by a family of atypical protein kinases. Proc.Natl.Acad.Sci.USA, 113, 2016
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5A1A
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![BU of 5a1a by Molmil](/molmil-images/mine/5a1a) | 2.2 A resolution cryo-EM structure of beta-galactosidase in complex with a cell-permeant inhibitor | Descriptor: | 2-phenylethyl 1-thio-beta-D-galactopyranoside, BETA-GALACTOSIDASE, MAGNESIUM ION, ... | Authors: | Bartesaghi, A, Merk, A, Banerjee, S, Matthies, D, Wu, X, Milne, J, Subramaniam, S. | Deposit date: | 2015-04-29 | Release date: | 2015-05-06 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | 2.2 A Resolution Cryo-Em Structure of Beta-Galactosidase in Complex with a Cell-Permeant Inhibitor Science, 348, 2015
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4DVH
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![BU of 4dvh by Molmil](/molmil-images/mine/4dvh) | Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | Descriptor: | FE (III) ION, Superoxide dismutase | Authors: | Larrieux, N, Buschiazzo, A. | Deposit date: | 2012-02-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER. J.Biol.Chem., 289, 2014
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3C17
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![BU of 3c17 by Molmil](/molmil-images/mine/3c17) | |
3GJE
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![BU of 3gje by Molmil](/molmil-images/mine/3gje) | Rational development of high-affinity T-cell receptor-like antibodies | Descriptor: | Fab Heavy Chain, Fab Light Chain | Authors: | Stewart-Jones, G, Wadle, A, Hombach, A, Shenderov, E, Held, G, Fischer, E, Kleber, S, Stenner-Liewen, F, Bauer, S, McMichael, A, Knuth, A, Abken, H, Hombach, A.A, Cerundolo, V, Jones, E.Y, Renner, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational development of high-affinity T-cell receptor-like antibodies Proc.Natl.Acad.Sci.USA, 106, 2009
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1K19
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![BU of 1k19 by Molmil](/molmil-images/mine/1k19) | NMR Solution Structure of the Chemosensory Protein CSP2 from Moth Mamestra brassicae | Descriptor: | Chemosensory Protein CSP2 | Authors: | Mosbah, A, Campanacci, V, Lartigue, A, Tegoni, M, Cambillau, C, Darbon, H. | Deposit date: | 2001-09-24 | Release date: | 2002-12-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of a chemosensory protein from the moth Mamestra brassicae BIOCHEM.J., 369, 2003
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8A9T
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![BU of 8a9t by Molmil](/molmil-images/mine/8a9t) | Tubulin-[1,2]oxazoloisoindole-1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | Deposit date: | 2022-06-29 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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8A9Z
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![BU of 8a9z by Molmil](/molmil-images/mine/8a9z) | Tubulin-[1,2]oxazoloisoindole-2e complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole, CALCIUM ION, ... | Authors: | Prota, A.E, Abel, A.-C, Steinmetz, M.O, Barraja, P, Montalbano, A, Spano, V. | Deposit date: | 2022-06-29 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.294 Å) | Cite: | Development of [1,2]oxazoloisoindoles tubulin polymerization inhibitors: Further chemical modifications and potential therapeutic effects against lymphomas. Eur.J.Med.Chem., 243, 2022
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5O3G
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![BU of 5o3g by Molmil](/molmil-images/mine/5o3g) | Human Brd2(BD2) mutant in complex with AL-Am1 | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide, Bromodomain-containing protein 2 | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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6G94
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5A5E
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![BU of 5a5e by Molmil](/molmil-images/mine/5a5e) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, NICKEL (II) ION, SULFATE ION, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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6NX9
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5A5F
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![BU of 5a5f by Molmil](/molmil-images/mine/5a5f) | CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ... | Authors: | Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C. | Deposit date: | 2015-06-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited. PLoS ONE, 11, 2016
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3O8M
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![BU of 3o8m by Molmil](/molmil-images/mine/3o8m) | Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state) | Descriptor: | CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ... | Authors: | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | Deposit date: | 2010-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION. J.Biol.Chem., 285, 2010
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4HXQ
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![BU of 4hxq by Molmil](/molmil-images/mine/4hxq) | Crystal structure of human Arginase-1 complexed with inhibitor 14 | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-12 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
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4HZE
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![BU of 4hze by Molmil](/molmil-images/mine/4hze) | Crystal structure of human Arginase-2 complexed with inhibitor 9 | Descriptor: | Arginase-2, mitochondrial, BENZAMIDINE, ... | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-15 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
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5J5X
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![BU of 5j5x by Molmil](/molmil-images/mine/5j5x) | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... | Authors: | Alam, K.A, Ivan, T, Uri, A, Engh, R.A. | Deposit date: | 2016-04-04 | Release date: | 2016-07-20 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
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5BKM
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![BU of 5bkm by Molmil](/molmil-images/mine/5bkm) | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-20 | Release date: | 2022-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) To Be Published
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5J6Q
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![BU of 5j6q by Molmil](/molmil-images/mine/5j6q) | Cwp8 from Clostridium difficile | Descriptor: | CHLORIDE ION, Cell wall binding protein cwp8, SULFATE ION | Authors: | Renko, M, Usenik, A, Turk, D. | Deposit date: | 2016-04-05 | Release date: | 2017-02-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6. Structure, 25, 2017
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8AU1
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![BU of 8au1 by Molmil](/molmil-images/mine/8au1) | Jumbo Phage phi-kp24 tail outer sheath | Descriptor: | Putative tail sheath protein | Authors: | Ouyang, R, Briegel, A. | Deposit date: | 2022-08-25 | Release date: | 2022-12-14 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | High-resolution reconstruction of a Jumbo-bacteriophage infecting capsulated bacteria using hyperbranched tail fibers. Nat Commun, 13, 2022
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5O3H
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![BU of 5o3h by Molmil](/molmil-images/mine/5o3h) | Human Brd2(BD2) mutant in complex with 9-ME-Am1 | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | Authors: | Chan, K.-H, Runcie, A.C, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
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5AP7
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![BU of 5ap7 by Molmil](/molmil-images/mine/5ap7) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, MONOPOLAR SPINDLE KINASE 1, ... | 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 (2.45 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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6M8O
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![BU of 6m8o by Molmil](/molmil-images/mine/6m8o) | |
5AP4
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![BU of 5ap4 by Molmil](/molmil-images/mine/5ap4) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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5AR5
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![BU of 5ar5 by Molmil](/molmil-images/mine/5ar5) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole | Descriptor: | 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, 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: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 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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