6QOM
 
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine) | | Descriptor: | 3-nitropyridin-2-amine, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6DJK
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8VIH
 | | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FE (III) ION, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
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2VZR
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6TLS
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | | Descriptor: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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8VQX
 | | Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Dougan, D.R, Lane, W. | | Deposit date: | 2024-01-19 | | Release date: | 2024-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
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8VII
 | | EgtB-IV from Crocosphaera subtropica, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with cysteine and hercynine | | Descriptor: | 1,2-ETHANEDIOL, CYSTEINE, MANGANESE (II) ION, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.621 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
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6QQQ
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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8D7J
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8UIY
 | | In situ human P-Z state 80S ribosome | | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | | Authors: | Wei, Z, Yong, X. | | Deposit date: | 2023-10-10 | | Release date: | 2025-04-09 | | Last modified: | 2025-08-20 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | In situ human P-Z state 80S ribosome
To Be Published
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8D7B
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1NTT
 | | 5'(dCPCPUPCPCPUPUP)3':(rAGGAGGAAA)5', where P=propynyl | | Descriptor: | 5'-D(*CP*(5PC)P*(PDU)P*(5PC)P*(5PC)P*(PDU)P*(PDU))-3', 5'-R(*AP*AP*AP*GP*GP*AP*GP*GP*A)-3' | | Authors: | Znosko, B.M, Barnes III, T.W, Krugh, T.R, Turner, D.H. | | Deposit date: | 2003-01-30 | | Release date: | 2003-06-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | NMR Studies of DNA Single Strands and DNA:RNA Hybrids With and Without 1-Propynylation at C5 of Oligopyrimidines
J.Am.Chem.Soc., 125, 2003
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8D5Z
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8D7D
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7BGQ
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1019 | | Descriptor: | 14-3-3 protein sigma, 2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-01-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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3ZW5
 | | Crystal structure of the human Glyoxalase domain-containing protein 5 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYOXALASE DOMAIN-CONTAINING PROTEIN 5, ... | | Authors: | Muniz, J.R.C, Kiyani, W, Froese, S, Vollmar, M, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W. | | Deposit date: | 2011-07-28 | | Release date: | 2011-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of the Human Glyoxalase Domain-Containing Protein 5
To be Published
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8VIG
 | | EgtB-IV from Geminocystis sp. isolate SKYG4, an ergothioneine-biosynthetic type IV sulfoxide synthase in complex with hercynine | | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N,N,N-trimethyl-histidine, ... | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2024-01-04 | | Release date: | 2024-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural insights into the convergent evolution of sulfoxide synthase EgtB-IV, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA.
Structure, 32, 2024
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8D8E
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6D5K
 | | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | | Deposit date: | 2018-04-19 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy.
J. Am. Chem. Soc., 140, 2018
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7BGV
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1012 | | Descriptor: | 14-3-3 protein sigma, 3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-01-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.683 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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7BGR
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1016 | | Descriptor: | 14-3-3 protein sigma, 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2021-01-08 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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8D5U
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7BDP
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1017 | | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2020-12-22 | | Release date: | 2021-06-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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8D6B
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7BDT
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1009 | | Descriptor: | 14-3-3 protein sigma, 2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde, MAGNESIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | | Deposit date: | 2020-12-22 | | Release date: | 2021-06-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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