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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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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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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8GJ0
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8R10
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8AYK
| Crystal structure of D-amino acid aminotrensferase from Aminobacterium colombiense complexed with D-glutamate | Descriptor: | (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class IV | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Rakitina, T.V, Minyaev, M.E, Popov, V.O, Bezsudnova, E.Y. | Deposit date: | 2022-09-02 | Release date: | 2022-11-16 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | To the Understanding of Catalysis by D-Amino Acid Transaminases: A Case Study of the Enzyme from Aminobacterium colombiense. Molecules, 28, 2023
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6WDU
| The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Hilario, E, Fan, L, Dunn, M.F, Mueller, L.J. | Deposit date: | 2020-04-01 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The external aldimine form of the Salmonella thypi wild-type tryptophan synthase in open conformation showing multiple side chain conformations for the residue beta Q114 and sodium ion at the metal coordination site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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8ONM
| Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense point mutant E113A complexed with D-glutamate | Descriptor: | (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid, 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Matyuta, I.O, Boyko, K.M, Minyaev, M.E, Shilova, S.A, Bezsudnova, E.Y, Popov, V.O. | Deposit date: | 2023-04-03 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Probing of the structural and catalytic roles of the residues in the active site of transaminase from Aminobacterium colombiense To Be Published
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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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5KNS
| E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-phosphonoethyl-N-phosphonoethoxyethyl)-2-aminoethyl]hypoxanthine | Descriptor: | (2-{[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl](2-{[(E)-2-phosphonoethenyl]oxy}ethyl)amino}ethyl)phosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ... | Authors: | Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z. | Deposit date: | 2016-06-28 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.792 Å) | Cite: | Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase Chemistryselect, 1, 2016
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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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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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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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5KDI
| How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold | Descriptor: | (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8 | Authors: | Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L. | Deposit date: | 2016-06-08 | Release date: | 2017-12-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family. J.Biol.Chem., 293, 2018
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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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2Q96
| E. coli methionine aminopeptidase Mn-form with inhibitor A18 | Descriptor: | 5-(2-CHLOROBENZYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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3ODL
| Crystal structure of cyclophilin A in complex with Voclosporin Z-ISA247 | Descriptor: | Cyclophilin A, Voclosporin | Authors: | Kuglstatter, A, Stihle, M, Benz, J, Hennig, M. | Deposit date: | 2010-08-11 | Release date: | 2011-02-16 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural basis for the cyclophilin A binding affinity and immunosuppressive potency of E-ISA247 (voclosporin). Acta Crystallogr.,Sect.D, 67, 2011
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5LZJ
| Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237 | Descriptor: | (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ... | Authors: | Heggelund, J.E, Krengel, U. | Deposit date: | 2016-09-29 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics. Sci Rep, 7, 2017
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2Q94
| E. coli methionine aminopeptidase Mn-form with inhibitor A04 | Descriptor: | 5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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2Q95
| E. coli methionine aminopeptidase Mn-form with inhibitor A05 | Descriptor: | 5-(2-CHLORO-4-NITROPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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2Q92
| E. coli methionine aminopeptidase Mn-form with inhibitor B23 | Descriptor: | 5-(2-NITROPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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2Q93
| E. coli methionine aminopeptidase Mn-form with inhibitor B21 | Descriptor: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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