6PXQ
 
 | | Crystal structure of human thrombin mutant D194A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | | Deposit date: | 2019-07-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold.
Sci Rep, 9, 2019
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6Q9K
 | | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
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6WTZ
 | | Cryo-EM structure of E. Coli OmpF | | Descriptor: | Outer membrane porin F | | Authors: | Morgan, C.E, Su, C.-C, Lyu, M, Yu, E.W. | | Deposit date: | 2020-05-04 | | Release date: | 2021-01-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | A 'Build and Retrieve' methodology to simultaneously solve cryo-EM structures of membrane proteins.
Nat.Methods, 18, 2021
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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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6YY0
 | | bovine ATP synthase F1-peripheral stalk domain, state 1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F(0) complex subunit B1, ... | | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-05-04 | | Release date: | 2020-09-09 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7OCJ
 | | Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509) | | Descriptor: | 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509) | | Authors: | Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L. | | Deposit date: | 2021-04-27 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
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6V5T
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8OKM
 | | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKL
 | | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKK
 | | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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8OKN
 | | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | | Authors: | Costanzi, E, Demitri, N, Storici, P. | | Deposit date: | 2023-03-28 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination.
Eur.J.Med.Chem., 253, 2023
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1CQJ
 | | CRYSTAL STRUCTURE OF DEPHOSPHORYLATED E. COLI SUCCINYL-COA SYNTHETASE | | Descriptor: | COENZYME A, PHOSPHATE ION, SUCCINYL-COA SYNTHETASE ALPHA CHAIN, ... | | Authors: | Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 1999-08-06 | | Release date: | 2000-01-10 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
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1CQI
 | | Crystal Structure of the Complex of ADP and MG2+ with Dephosphorylated E. Coli Succinyl-CoA Synthetase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, MAGNESIUM ION, ... | | Authors: | Joyce, M.A, Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | | Deposit date: | 1999-08-06 | | Release date: | 2000-01-07 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ADP-binding site of Escherichia coli succinyl-CoA synthetase revealed by x-ray crystallography.
Biochemistry, 39, 2000
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7MII
 | | Human CTPS2 bound to inhibitor T35 | | Descriptor: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6OHL
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7MIG
 | | Human CTPS1 bound to inhibitor T35 | | Descriptor: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 1, GLUTAMINE, ... | | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIH
 | | Human CTPS2 bound to inhibitor R80 | | Descriptor: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | | Deposit date: | 2021-04-16 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for isoform-specific inhibition of human CTPS1.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4X9E
 | | DEOXYGUANOSINETRIPHOSPHATE TRIPHOSPHOHYDROLASE from Escherichia coli with two DNA effector molecules | | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MAGNESIUM ION, RNA (5'-R(P*CP*CP*C)-3') | | Authors: | Singh, D, Gawel, D, Itsko, M, Krahn, J.M, London, R.E, Schaaper, R.M. | | Deposit date: | 2014-12-11 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of Escherichia coli dGTP Triphosphohydrolase: A HEXAMERIC ENZYME WITH DNA EFFECTOR MOLECULES.
J.Biol.Chem., 290, 2015
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6OM8
 | | Caenorhabditis Elegans UDP-Glucose Dehydrogenase in complex with UDP-Xylose | | Descriptor: | UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE | | Authors: | Beattie, N.R, McDonald, W.E, Hicks Sirmans, T.N, Wood, Z.A. | | Deposit date: | 2019-04-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.449 Å) | | Cite: | Conservation of Atypical Allostery inC. elegansUDP-Glucose Dehydrogenase.
Acs Omega, 4, 2019
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6XAS
 | | CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex | | Descriptor: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Hao, Z.T, Kim, H.K, Walz, T, Nudler, E. | | Deposit date: | 2020-06-04 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Pre-termination Transcription Complex: Structure and Function.
Mol.Cell, 81, 2021
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6O44
 | | Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ... | | Authors: | Tang, H, Shi, K, Aihara, H. | | Deposit date: | 2019-02-28 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Biochem. Biophys. Res. Commun., 512, 2019
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4WF1
 | | Crystal structure of the E. coli ribosome bound to negamycin. | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Olivier, N.B, Altman, R.B, Noeske, J, Basarab, G.S, Code, E, Ferguson, A.D, Gao, N, Huang, J, Juette, M.F, Livchak, S, Miller, M.D, Prince, D.B, Cate, J.H.D, Buurman, E.T, Blanchard, S.C. | | Deposit date: | 2014-09-11 | | Release date: | 2014-11-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Negamycin induces translational stalling and miscoding by binding to the small subunit head domain of the Escherichia coli ribosome.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1BFV
 | | MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI | | Descriptor: | ESTRIOL 3-(B-D-GLUCURONIDE), FV4155, ZINC ION | | Authors: | Trinh, C.H, Phillips, S.E.V. | | Deposit date: | 1997-05-27 | | Release date: | 1997-12-03 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity.
Structure, 5, 1997
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6EKO
 | | Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*CP*CP*GP*GP*AP*GP*CP*GP*T)-3'), Restriction endonuclease PfoI | | Authors: | Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V. | | Deposit date: | 2017-09-26 | | Release date: | 2018-10-10 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.284 Å) | | Cite: | Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family.
Nucleic Acids Res., 47, 2019
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5LMM
 | | Structure of E coli Hydrogenase Hyd-1 mutant E28Q | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | Authors: | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | | Deposit date: | 2016-08-01 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Kinetic consequences of re-engineering the outer shell "canopy" above the active site of a [NiFe]-hydrogenase.
To Be Published
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