4OAE
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![BU of 4oae by Molmil](/molmil-images/mine/4oae) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, GNAT superfamily acetyltransferase PA4794, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-01-04 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol To be Published
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4OZN
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![BU of 4ozn by Molmil](/molmil-images/mine/4ozn) | GlnK2 from Haloferax mediterranei complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | Deposit date: | 2014-02-17 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations. Febs J., 281, 2014
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1A46
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![BU of 1a46 by Molmil](/molmil-images/mine/1a46) | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | Descriptor: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-11 | Release date: | 1998-05-27 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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2YIL
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![BU of 2yil by Molmil](/molmil-images/mine/2yil) | Crystal Structure of Parasite Sarcocystis muris Lectin SML-2 | Descriptor: | CHLORIDE ION, GLYCEROL, MICRONEME ANTIGEN L2, ... | Authors: | Mueller, J.J, Weiss, M.S, Heinemann, U. | Deposit date: | 2011-05-16 | Release date: | 2011-11-02 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose. Acta Crystallogr.,Sect.D, D67, 2011
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4OB9
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![BU of 4ob9 by Molmil](/molmil-images/mine/4ob9) | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution | Descriptor: | Chorismate synthase | Authors: | Shukla, P.K, Chaudhary, A, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-01-07 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.50A resolution To be Published
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6DHO
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![BU of 6dho by Molmil](/molmil-images/mine/6dho) | RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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4OD9
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![BU of 4od9 by Molmil](/molmil-images/mine/4od9) | Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | Deposit date: | 2014-01-10 | Release date: | 2014-08-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4OJJ
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![BU of 4ojj by Molmil](/molmil-images/mine/4ojj) | Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator (Space group : P212121) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA topoisomerase 2-associated protein PAT1, ... | Authors: | Fourati-Kammoun, Z, Kolesnikova, O, Back, R, Keller, J, Lazar, N, Gaudon-Plesse, C, Seraphin, B, Graille, M. | Deposit date: | 2014-01-21 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The C-terminal domain from S. cerevisiae Pat1 displays two conserved regions involved in decapping factor recruitment. Plos One, 9, 2014
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4OMT
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4OK7
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![BU of 4ok7 by Molmil](/molmil-images/mine/4ok7) | Structure of bacteriophage SPN1S endolysin from Salmonella typhimurium | Descriptor: | Endolysin, GLYCEROL, SULFATE ION | Authors: | Park, Y, Lim, J, Kong, M, Ryu, S, Rhee, S. | Deposit date: | 2014-01-22 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of bacteriophage SPN1S endolysin reveals an unusual two-module fold for the peptidoglycan lytic and binding activity. Mol.Microbiol., 92, 2014
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2YNV
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![BU of 2ynv by Molmil](/molmil-images/mine/2ynv) | Cys221 oxidized, Mono zinc GIM-1 - GIM-1-Ox. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta- lactamases | Descriptor: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | Deposit date: | 2012-10-18 | Release date: | 2013-07-24 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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4OZ6
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![BU of 4oz6 by Molmil](/molmil-images/mine/4oz6) | Structure of the Branched Intermediate in Protein Splicing | Descriptor: | ALA-MET-ARG-TYR, MAGNESIUM ION, Mxe gyrA intein | Authors: | Bick, M.J, Liu, Z, Frutos, S, Vila-Perello, M, Debelouchina, G.T, Darst, S.A, Muir, T.W. | Deposit date: | 2014-02-14 | Release date: | 2014-05-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.786 Å) | Cite: | Structure of the branched intermediate in protein splicing. Proc.Natl.Acad.Sci.USA, 111, 2014
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4OZJ
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![BU of 4ozj by Molmil](/molmil-images/mine/4ozj) | GlnK2 from Haloferax mediterranei complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | Deposit date: | 2014-02-17 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations. Febs J., 281, 2014
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4OZQ
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![BU of 4ozq by Molmil](/molmil-images/mine/4ozq) | Crystal structure of the mouse Kif14 motor domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Chimera of Maltose-binding periplasmic protein and Kinesin family member 14 protein | Authors: | Arora, K, Talje, L, Asenjo, A.B, Andersen, P, Atchia, K, Joshi, M, Sosa, H, Kwok, B.H, Allingham, J.S. | Deposit date: | 2014-02-18 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | KIF14 binds tightly to microtubules and adopts a rigor-like conformation. J.Mol.Biol., 426, 2014
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4OX7
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6DHG
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![BU of 6dhg by Molmil](/molmil-images/mine/6dhg) | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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4OYS
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![BU of 4oys by Molmil](/molmil-images/mine/4oys) | CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405. | Descriptor: | (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3, SULFATE ION | Authors: | Mathieu, M, Marquette, J.p. | Deposit date: | 2014-02-13 | Release date: | 2014-10-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy. Nat.Chem.Biol., 10, 2014
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1A5G
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![BU of 1a5g by Molmil](/molmil-images/mine/1a5g) | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Tulinsky, A, Kahn, M. | Deposit date: | 1998-02-16 | Release date: | 1998-05-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1A61
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![BU of 1a61 by Molmil](/molmil-images/mine/1a61) | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-06-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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4O9U
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![BU of 4o9u by Molmil](/molmil-images/mine/4o9u) | Mechanism of transhydrogenase coupling proton translocation and hydride transfer | Descriptor: | NAD(P) transhydrogenase subunit alpha 2, NAD(P) transhydrogenase subunit beta, NAD/NADP transhydrogenase alpha subunit 1, ... | Authors: | Leung, J.H, Yamaguchi, M, Moeller, A, Schurig-Briccio, L.A, Gennis, R.B, Potter, C.S, Carragher, B, Stout, C.D. | Deposit date: | 2014-01-02 | Release date: | 2015-01-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (6.926 Å) | Cite: | Structural biology. Division of labor in transhydrogenase by alternating proton translocation and hydride transfer. Science, 347, 2015
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4Q8M
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4Q9F
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![BU of 4q9f by Molmil](/molmil-images/mine/4q9f) | Crystal structure of type 1 ribosome inactivating protein from Momordica balsamina in complex with guanosine mono phosphate at 1.75 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Kushwaha, G.S, Pandey, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-01 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of type 1 ribosome inactivating protein from Momordica balsamina in complex with guanosine mono phosphate at 1.75 Angstrom resolution To be Published
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4Q4M
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![BU of 4q4m by Molmil](/molmil-images/mine/4q4m) | tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-4-phenyl-1,2-dihydro-1,3,5-triazin-2-one | Descriptor: | 6-amino-4-phenyl-1,3,5-triazin-2(1H)-one, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ... | Authors: | Neeb, M, Heine, A, Klebe, G. | Deposit date: | 2014-04-15 | Release date: | 2015-06-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | 5-Azacytosines as a Novel Scaffold to Inhibit Z. mobilis TGT with Expected Improved Bioavailability and Synthetic Accessibility To be Published
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4Q77
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![BU of 4q77 by Molmil](/molmil-images/mine/4q77) | Crystal structure of Rot, a global regulator of virulence genes in Staphylococcus aureus | Descriptor: | GLYCEROL, HTH-type transcriptional regulator rot | Authors: | Zhu, Y, Fan, X, Li, X, Teng, M. | Deposit date: | 2014-04-24 | Release date: | 2014-09-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structure of Rot, a global regulator of virulence genes in Staphylococcus aureus. Acta Crystallogr.,Sect.D, 70, 2014
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4QBK
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![BU of 4qbk by Molmil](/molmil-images/mine/4qbk) | Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with amino acyl-tRNA analogue at 1.77 Angstrom resolution | Descriptor: | 3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine, GLYCEROL, Peptidyl-tRNA hydrolase | Authors: | Singh, A, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-05-08 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase Biochem.J., 463, 2014
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