6VN6
 
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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6SM3
 | | Structure of the RagAB peptide importer in the 'closed-closed' state | | Descriptor: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, GLY-GLY-ALA-THR-THR-ALA-THR-THR-THR-THR-SER-THR-SER, Lipoprotein RagB, ... | | Authors: | White, J.B.R, Ranson, N.A, van den Berg, B. | | Deposit date: | 2019-08-21 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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6SMQ
 | | Structure of the RagAB peptide importer in the 'open-closed' state | | Descriptor: | (1R,4S,6R)-6-({[2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL]OXY}METHYL)-4-HYDROXY-1-{[(15-METHYLHEXADECANOYL)OXY]METHYL}-4-OXIDO-7-OXO-3,5-DIOXA-8-AZA-4-PHOSPHAHEPTACOS-1-YL 15-METHYLHEXADECANOATE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Lipoprotein RagB, ... | | Authors: | White, J.B.R, Ranson, N.A, van den Berg, B. | | Deposit date: | 2019-08-22 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and functional insights into oligopeptide acquisition by the RagAB transporter from Porphyromonas gingivalis.
Nat Microbiol, 5, 2020
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6VN5
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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3O2W
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6NAY
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6NAW
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4GJ2
 | | Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | | Descriptor: | 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Ultsch, M.H. | | Deposit date: | 2012-08-09 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
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8G8F
 | | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | O'Neill, A.G, Kollman, J.M. | | Deposit date: | 2023-02-17 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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6YSL
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4GII
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6NAH
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4GMY
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7SXQ
 | | Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | | Descriptor: | 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ... | | Authors: | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
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4GIH
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8G9B
 | | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | O'Neill, A.G, Kollman, J.M. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-19 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
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4GFM
 | | JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | | Descriptor: | 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
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6YSF
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4GFO
 | | TYK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE | | Descriptor: | 1,2-ETHANEDIOL, 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, GLYCEROL, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2012-08-03 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
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4GJ3
 | | Tyk2 (JH1) in complex with 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide | | Descriptor: | 2,6-dichloro-4-cyano-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Ultsch, M.H. | | Deposit date: | 2012-08-09 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Lead Optimization of a 4-Aminopyridine Benzamide Scaffold To Identify Potent, Selective, and Orally Bioavailable TYK2 Inhibitors.
J.Med.Chem., 56, 2013
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2YEQ
 | | Structure of PhoD | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALKALINE PHOSPHATASE D, ... | | Authors: | Lillington, J.E.D, Rodriguez, F, Roversi, P, Johnson, S.J, Berks, B, Lea, S.M. | | Deposit date: | 2011-03-30 | | Release date: | 2012-04-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure of the Bacillus Subtilis Phosphodiesterase Phod Reveals an Iron and Calcium-Containing Active Site.
J.Biol.Chem., 289, 2014
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7WUX
 | | Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi | | Descriptor: | (2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, AziU2, ... | | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | | Deposit date: | 2022-02-09 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.
J.Am.Chem.Soc., 144, 2022
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7WUW
 | | Crystal structure of AziU3/U2 from Streptomyces sahachiroi | | Descriptor: | AziU2, AziU3, MAGNESIUM ION, ... | | Authors: | Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M. | | Deposit date: | 2022-02-09 | | Release date: | 2022-09-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.
J.Am.Chem.Soc., 144, 2022
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5Z3R
 | | Crystal Structure of Delta 5-3-Ketosteroid Isomerase from Mycobacterium sp. | | Descriptor: | Steroid delta-isomerase | | Authors: | Cheng, X.Y, Peng, F, Yang, F, Huang, Y.Q, Su, Z.D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Delta5-3-ketosteroid isomerase.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
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6LAT
 | | The cryo-EM structure of HEV VLP | | Descriptor: | Protein ORF2 | | Authors: | Zheng, Q, He, M, Li, S. | | Deposit date: | 2019-11-13 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Viral neutralization by antibody-imposed physical disruption.
Proc.Natl.Acad.Sci.USA, 2019
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