5WAW
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6VP4
| Ethylene forming enzyme (EFE) in complex with Fe(II), L-arginine, and 2OG | Descriptor: | 2-OXOGLUTARIC ACID, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ... | Authors: | Davis, K.M, Copeland, R.A, Boal, A.K. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | An Iron(IV)-Oxo Intermediate Initiating l-Arginine Oxidation but Not Ethylene Production by the 2-Oxoglutarate-Dependent Oxygenase, Ethylene-Forming Enzyme. J.Am.Chem.Soc., 143, 2021
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3D55
| Crystal structure of M. tuberculosis YefM antitoxin | Descriptor: | SULFATE ION, Uncharacterized protein Rv3357/MT3465 | Authors: | Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. | Deposit date: | 2008-05-15 | Release date: | 2008-12-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
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3CTO
| Crystal Structure of M. tuberculosis YefM antitoxin | Descriptor: | SULFATE ION, Uncharacterized protein Rv3357/MT3465 | Authors: | Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C. | Deposit date: | 2008-04-14 | Release date: | 2008-12-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein J.Mol.Biol., 383, 2008
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4V2F
| Tetracycline repressor TetR(D), unliganded | Descriptor: | TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Werten, S, Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2014-10-09 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4V2G
| Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline | Descriptor: | 7-CHLOROTETRACYCLINE, ISO-7-CHLORTETRACYCLINE, MAGNESIUM ION, ... | Authors: | Werten, S, Orth, P, Saenger, W, Hinrichs, W. | Deposit date: | 2014-10-09 | Release date: | 2014-12-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition. Biochemistry, 53, 2014
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4WA0
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7AEZ
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2TMY
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2RKQ
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7SVM
| DPP8 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVN
| DPP9 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVO
| DPP8 IN COMPLEX WITH LIGAND ICeD-1 | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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7SVL
| DPP9 IN COMPLEX WITH LIGAND ICeD-2 | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | Deposit date: | 2021-11-19 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells. Acs Chem.Biol., 17, 2022
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5O98
| Binary complex of Catharanthus roseus Vitrosamine Synthase with NADP+ | Descriptor: | Alcohol dehydrogenase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stavrinides, A.K, Tatsis, E.C, Dang, T.T, Caputi, L, Stevenson, C.E.M, Lawson, D.M, Schneider, B, O'Connor, S.E. | Deposit date: | 2017-06-16 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of a Short-Chain Dehydrogenase from Catharanthus roseus that Produces a New Monoterpene Indole Alkaloid. Chembiochem, 19, 2018
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5XGT
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4PAQ
| A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2014-04-09 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
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4PAO
| A conserved phenylalanine as relay between the 5 helix and the GDP binding region of heterotrimeric G protein | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, MAGNESIUM ION | Authors: | Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E. | Deposit date: | 2014-04-09 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | A Conserved Phenylalanine as a Relay between the alpha 5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein alpha Subunit. J.Biol.Chem., 289, 2014
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8IFQ
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFS
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | Descriptor: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFP
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFR
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IFT
| SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | Descriptor: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-19 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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8IGY
| SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-21 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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2RNZ
| Solution structure of the presumed chromodomain of the yeast histone acetyltransferase, Esa1 | Descriptor: | Histone acetyltransferase ESA1 | Authors: | Shimojo, H, Sano, N, Moriwaki, Y, Okuda, M, Horikoshi, M, Nishimura, Y. | Deposit date: | 2008-03-01 | Release date: | 2008-04-29 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain J.Mol.Biol., 378, 2008
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