4U7Z
 
 | | Mitogen-Activated Protein Kinase Kinase (MEK1) bound to G805 | | Descriptor: | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Robarge, K.D, Ultsch, M.H, Wiesmann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4UAZ
 | | DNA polymerase beta reactant complex with a templating adenine and incoming 8-oxodGTP, 20 s | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2014-08-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
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1EOG
 | | CRYSTAL STRUCTURE OF PI CLASS GLUTATHIONE TRANSFERASE | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | | Deposit date: | 2000-03-22 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1.
J.Mol.Biol., 302, 2000
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2YL9
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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5WMD
 | | N-terminal bromodomain of BRD4 in complex with OTX-015 | | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | | Authors: | Zhang, Y. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018
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3MCG
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5WWF
 | | Crystal structure of hnRNPA2B1 in complex with RNA | | Descriptor: | Heterogeneous nuclear ribonucleoproteins A2/B1, RNA | | Authors: | Wu, B.X, Su, S.C, Ma, J.B. | | Deposit date: | 2017-01-01 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular basis for the specific and multivariant recognitions of RNA substrates by human hnRNP A2/B1.
Nat Commun, 9, 2018
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4B6G
 | | The Crystal Structure of the Neisserial Esterase D. | | Descriptor: | PUTATIVE ESTERASE | | Authors: | Counago, R.M, Kobe, B. | | Deposit date: | 2012-08-13 | | Release date: | 2012-11-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A glutathione-dependent detoxification system is required for formaldehyde resistance and optimal survival of Neisseria meningitidis in biofilms.
Antioxid. Redox Signal., 18, 2013
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5WBT
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1EO3
 | | INHIBITION OF ECORV ENDONUCLEASE BY DEOXYRIBO-3'-S-PHOSPHOROTHIOLATES: A HIGH RESOLUTION X-RAY CRYSTALLOGRAPHIC STUDY | | Descriptor: | ACETIC ACID, DNA (5'-D(*CP*AP*AP*GP*AP*(TSP)P*AP*TP*CP*TP*T)-3'), MAGNESIUM ION, ... | | Authors: | Horton, N.C, Connolly, B.A, Perona, J.J. | | Deposit date: | 2000-03-21 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of EcoRV Endonuclease by Deoxyribo-3'-S-phosphorothiolates: A High-Resolution X-ray Crystallographic Study
J.Am.Chem.Soc., 122, 2000
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7MOK
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1ED9
 | | STRUCTURE OF E. COLI ALKALINE PHOSPHATASE WITHOUT THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Stec, B, Holtz, K.M, Kantrowitz, E.R. | | Deposit date: | 2000-01-27 | | Release date: | 2000-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A revised mechanism for the alkaline phosphatase reaction involving three metal ions.
J.Mol.Biol., 299, 2000
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5WMU
 | | Structural Insights into Substrate and Inhibitor Binding Sites in Human Indoleamine 2,3-Dioxygenase I | | Descriptor: | CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lewis-Ballester, A, Yeh, S.R, Pham, K.N, Batabyal, D, Karkashon, S, Bonanno, J.B, Poulos, T.L. | | Deposit date: | 2017-07-31 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.
Nat Commun, 8, 2017
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1EOH
 | | GLUTATHIONE TRANSFERASE P1-1 | | Descriptor: | GLUTATHIONE S-TRANSFERASE | | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | | Deposit date: | 2000-03-22 | | Release date: | 2000-10-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1.
J.Mol.Biol., 302, 2000
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6QQN
 | | Tubulin-TH588 complex | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Patterson, J.C, Joughin, B.A, Prota, A.E, Muehlethaler, T, Jonas, O.H, Whitman, M.A, Varmeh, S, Chen, S, Balk, S.P, Steinmetz, M.O, Lauffenburger, D.A, Yaffe, M.B. | | Deposit date: | 2019-02-18 | | Release date: | 2019-07-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | VISAGE Reveals a Targetable Mitotic Spindle Vulnerability in Cancer Cells.
Cell Syst, 9, 2019
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1ELY
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102C) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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7MNW
 | | Crystal Structure of Nup358/RanBP2 Ran-binding domain 1 in complex with Ran-GPPNHP | | Descriptor: | E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ... | | Authors: | Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A. | | Deposit date: | 2021-05-01 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
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4K8C
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP | | Descriptor: | ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with ADP
To be Published
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4KBE
 | | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine | | Descriptor: | 6-phenyl-1,3,5-triazine-2,4-diamine, ADENOSINE, DIMETHYL SULFOXIDE, ... | | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-04-23 | | Release date: | 2013-05-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with benzoguanamine
To be Published
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7PS7
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6QX9
 | | Structure of a human fully-assembled precatalytic spliceosome (pre-B complex). | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, AdML pre-mRNA, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Charenton, C, Wilkinson, M.E, Nagai, K. | | Deposit date: | 2019-03-07 | | Release date: | 2019-04-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Mechanism of 5' splice site transfer for human spliceosome activation.
Science, 364, 2019
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6QH0
 | | The complex structure of hsRosR-S5 (VNG0258H/RosR-S5) | | Descriptor: | DNA (28-MER), MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Shaanan, B, Kutnowski, N. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.436 Å) | | Cite: | Specificity of protein-DNA interactions in hypersaline environment: structural studies on complexes of Halobacterium salinarum oxidative stress-dependent protein hsRosR.
Nucleic Acids Res., 47, 2019
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6QFA
 | | CryoEM structure of a beta3K279T GABA(A)R homomer in complex with histamine and megabody Mb25 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, HISTAMINE, ... | | Authors: | Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkoening, A, Zoegg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J. | | Deposit date: | 2019-01-09 | | Release date: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (2.49 Å) | | Cite: | Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
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4KCE
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4KHR
 | | HCV NS5B GT1A C316Y with GSK5852 | | Descriptor: | NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid | | Authors: | Williams, S.P, Kahler, K.M, Shotwell, J.B. | | Deposit date: | 2013-05-01 | | Release date: | 2013-05-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
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