4RYK
 
 | | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e | | Descriptor: | DI(HYDROXYETHYL)ETHER, L(+)-TARTARIC ACID, Lmo0325 protein, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Minasov, G, Kiryukhina, O, Jedrzejczak, R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-12-15 | | Release date: | 2015-01-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of a putative transcriptional regulator from Listeria monocytogenes EGD-e
To be Published
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4GEC
 | | Crystal Structure of E.coli MenH R124A Mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, ... | | Authors: | Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Plos One, 8, 2013
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1F1B
 | | CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE R-STATE IN THE PRESENCE OF N-PHOSPHONACETYL-L-ASPARTATE | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ... | | Authors: | Jin, L, Stec, B, Kantrowitz, E.R. | | Deposit date: | 2000-05-18 | | Release date: | 2000-11-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A cis-proline to alanine mutant of E. coli aspartate transcarbamoylase: kinetic studies and three-dimensional crystal structures.
Biochemistry, 39, 2000
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5U7E
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4L8M
 | | Human p38 MAP kinase in complex with a Dibenzoxepinone | | Descriptor: | Mitogen-activated protein kinase 14, N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide, octyl beta-D-glucopyranoside | | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | | Deposit date: | 2013-06-17 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.
J.Med.Chem., 56, 2013
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4L1T
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3TTO
 | | Crystal structure of Leuconostoc mesenteroides NRRL B-1299 N-terminally truncated dextransucrase DSR-E in triclinic form | | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL | | Authors: | Brison, Y, Pijning, T, Fabre, E, Mourey, L, Morel, S, Potocki-Veronese, G, Monsan, P, Tranier, S, Remaud-Simeon, M, Dijkstra, B.W. | | Deposit date: | 2011-09-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Functional and structural characterization of alpha-(1-2) branching sucrase derived from DSR-E glucansucrase
J.Biol.Chem., 287, 2012
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3TTQ
 | | Crystal structure of Leuconostoc mesenteroides NRRL B-1299 N-terminally truncated dextransucrase DSR-E in orthorhombic apo-form at 1.9 angstrom resolution | | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | | Authors: | Brison, Y, Pijning, T, Fabre, E, Mourey, L, Morel, S, Potocki-Veronese, G, Monsan, P, Remaud-Simeon, M, Dijkstra, B.W, Tranier, S. | | Deposit date: | 2011-09-15 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and structural characterization of alpha-(1-2) branching sucrase derived from DSR-E glucansucrase
J.Biol.Chem., 287, 2012
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8RHR
 | | E.coli Peptide Deformylase with bound inhibitor BB4 | | Descriptor: | 2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Kirschner, H, Stoll, R, Hofmann, E. | | Deposit date: | 2023-12-16 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Toward More Selective Antibiotic Inhibitors: A Structural View of the Complexed Binding Pocket of E. coli Peptide Deformylase.
J.Med.Chem., 67, 2024
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7Q1C
 | | Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor | | Descriptor: | (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide, Histone deacetylase DAC2, POTASSIUM ION, ... | | Authors: | Ramos-Morales, E, Marek, M, Romier, C. | | Deposit date: | 2021-10-18 | | Release date: | 2021-12-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2.
Cell Rep, 37, 2021
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6S4F
 | | Structure of human MTHFD2 in complex with TH9619 | | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | | Deposit date: | 2019-06-27 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
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7Q0O
 | | E. coli NfsA | | Descriptor: | FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NADPH nitroreductase | | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | Deposit date: | 2021-10-15 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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6XZB
 | | E. coli 70S ribosome in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet) (focused classification). | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L. | | Deposit date: | 2020-02-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to the E. coli 70S ribosome.
Rna, 26, 2020
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7AA0
 | | Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | | Descriptor: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid, Cellular retinoic acid-binding protein 2 | | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | | Deposit date: | 2020-09-02 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands.
Acta Crystallogr D Struct Biol, 77, 2021
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6XZA
 | | E. coli 70S ribosome in complex with dirithromycin, and deacylated tRNA(iMet) (focused classification). | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L. | | Deposit date: | 2020-02-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to the E. coli 70S ribosome.
Rna, 26, 2020
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6Q4K
 | | CDK2 in complex with FragLite38 | | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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8GJ3
 | | E. coli clamp loader on primed template DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | | Deposit date: | 2023-03-14 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli
To Be Published
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8GJ1
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8GIY
 | | E. coli clamp loader with closed clamp | | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | | Deposit date: | 2023-03-14 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli
To Be Published
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8GJ0
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7GG3
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with AAR-RCN-748c104b-1 (Mpro-x12080) | | Descriptor: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8GIZ
 | | E. coli clamp loader with open clamp | | Descriptor: | Beta sliding clamp, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | | Deposit date: | 2023-03-14 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli
To Be Published
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8GJ2
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7Z0W
 | | E. coli NfsA bound to NADP+ | | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | White, S.A, Grainger, A, Parr, R, Day, M.A, Jarrom, D, Graziano, A, Searle, P.F, Hyde, E.I. | | Deposit date: | 2022-02-23 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | The 3D-structure, kinetics and dynamics of the E. coli nitroreductase NfsA with NADP + provide glimpses of its catalytic mechanism.
Febs Lett., 596, 2022
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6VEL
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