7O18
 
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
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6PIW
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6PJ1
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-4(AJ-74) | | Descriptor: | 1,2-ETHANEDIOL, 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PIZ
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (NR02-24) | | Descriptor: | 1,2-ETHANEDIOL, 1-methylcyclopropyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PJ2
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65) | | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide, 1,2-ETHANEDIOL, NS3 protease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6ZMQ
 | | Cytochrome c Heme Lyase CcmF | | Descriptor: | Cytochrome C-type biogenesis protein ccmF, DODECYL-BETA-D-MALTOSIDE, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Brausemann, A, Einsle, O. | | Deposit date: | 2020-07-03 | | Release date: | 2021-05-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Architecture of the membrane-bound cytochrome c heme lyase CcmF.
Nat.Chem.Biol., 17, 2021
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6PIU
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6PIY
 | | Crystal structure of HCV NS3/4A D168A protease in complex with P4-2 (NR02-61) | | Descriptor: | 1,2-ETHANEDIOL, 1-methylcyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3/4A protease, ... | | Authors: | Zephyr, J, Schiffer, C.A. | | Deposit date: | 2019-06-27 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.862 Å) | | Cite: | Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
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6PIX
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5HKR
 | | Crystal structure of de novo designed fullerene organising protein complex with fullerene | | Descriptor: | (C_{60}-I_{h})[5,6]fullerene, fullerene organizing protein | | Authors: | Acharya, R, Kim, Y.H, Grigoryan, G, DeGardo, W.F. | | Deposit date: | 2016-01-14 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Protein-directed self-assembly of a fullerene crystal.
Nat Commun, 7, 2016
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117D
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8DYK
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7SI5
 | | CRYSTAL STRUCTURE OF EED WITH MRTX-1919 | | Descriptor: | (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, 1,2-ETHANEDIOL, FORMIC ACID, ... | | Authors: | Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A. | | Deposit date: | 2021-10-12 | | Release date: | 2022-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | CRYSTAL STRUCTURE OF EED WITH MRTX-1919
TO BE PUBLISHED
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7SI4
 | | CRYSTAL STRUCTURE OF EED WITH MRTX-2219 | | Descriptor: | (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED | | Authors: | Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A. | | Deposit date: | 2021-10-12 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
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6ZXP
 | | Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20 fused to a short peptide from the viral DNA polymerase E9. | | Descriptor: | DNA polymerase processivity factor component A20,DNA polymerase processivity factor component E9 | | Authors: | Bersch, B, Tarbouriech, N, Burmeister, W, Iseni, F. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
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6ZYC
 | | Solution structure of the C-terminal domain of the vaccinia virus DNA polymerase processivity factor component A20. | | Descriptor: | DNA polymerase processivity factor component A20 | | Authors: | Bersch, B, Iseni, F, Burmeister, W, Tarbouriech, N. | | Deposit date: | 2020-07-31 | | Release date: | 2021-05-19 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the C-terminal Domain of A20, the Missing Brick for the Characterization of the Interface between Vaccinia Virus DNA Polymerase and its Processivity Factor.
J.Mol.Biol., 433, 2021
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7OLH
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6WY5
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.898 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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5L3L
 | | D11 bound IGF-II | | Descriptor: | Insulin-like growth factor II | | Authors: | Hexnerova, R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
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8FNC
 | | Cryo-EM structure of RNase-treated RESC-C in trypanosomal RNA editing | | Descriptor: | Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8FNF
 | | Cryo-EM structure of RNase-untreated RESC-C in trypanosomal RNA editing | | Descriptor: | Mitochondrial RNA binding complex 1 subunit, Mitochondrial RNA binding protein, Phytanoyl-CoA dioxygenase family protein, ... | | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | | Deposit date: | 2022-12-27 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing.
Science, 381, 2023
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8H0H
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6WN9
 | | Structure of Staphylococcus aureus peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain, Zn-bound | | Descriptor: | Acetyltransferase, ZINC ION | | Authors: | Jones, C.J, Sychantha, D, Howell, P.L, Clarke, A.J. | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural basis for theO-acetyltransferase function of the extracytoplasmic domain of OatA fromStaphylococcus aureus.
J.Biol.Chem., 295, 2020
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6WKW
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6W98
 | | Single-Particle Cryo-EM Structure of Arabinofuranosyltransferase AftD from Mycobacteria | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, CALCIUM ION, ... | | Authors: | Tan, Y.Z, Zhang, L, Rodrigues, J, Zheng, R.B, Giacometti, S.I, Rosario, A.L, Kloss, B, Dandey, V.P, Wei, H, Brunton, R, Raczkowski, A.M, Athayde, D, Catalao, M.J, Pimentel, M, Clarke, O.B, Lowary, T.L, Archer, M, Niederweis, M, Potter, C.S, Carragher, B, Mancia, F. | | Deposit date: | 2020-03-22 | | Release date: | 2020-05-13 | | Last modified: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM Structures and Regulation of Arabinofuranosyltransferase AftD from Mycobacteria.
Mol.Cell, 78, 2020
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