8TTC
| Structure of retromer VPS29-VPS35 (483-796) complexed with Fam21A repeat 20 (1289-1302) | Descriptor: | ACETATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Chen, K.-E, Guo, Q, Collins, B.M. | Deposit date: | 2023-08-13 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural basis for coupling of the WASH subunit FAM21 with the endosomal SNX27-Retromer complex. Proc.Natl.Acad.Sci.USA, 121, 2024
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7N3K
| Oridonin-bound SARS-CoV-2 Nsp9 | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, Non-structural protein 9, SULFATE ION | Authors: | Littler, D.R, Gully, B.S, Rossjohn, J. | Deposit date: | 2021-06-01 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A natural product compound inhibits coronaviral replication in vitro by binding to the conserved Nsp9 SARS-CoV-2 protein. J.Biol.Chem., 297, 2021
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8TYS
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8TXN
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6JW4
| Degenerate RVD RG forms a distinct loop conformation | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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6JW5
| RVD Q* recognizes 5hmC through water-mediated H bonds | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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6JW0
| Universal RVD R* accommodates cytosine via water-mediated interactions | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*CP*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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6JW3
| Degenerate RVD RG forms a distinct loop conformation | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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6JW2
| Universal RVD R* accommodates 5hmC via water-mediated interactions | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5HC)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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6JVZ
| RVD HA specifically contacts 5mC through van der Waals interactions | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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2APR
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8IZL
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3SR2
| Crystal Structure of Human XLF-XRCC4 Complex | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | Authors: | Hammel, M, Classen, S, Tainer, J.A. | Deposit date: | 2011-07-06 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.9708 Å) | Cite: | XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair. J.Biol.Chem., 286, 2011
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4NLD
| Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | Descriptor: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | Authors: | Sheriff, S. | Deposit date: | 2013-11-14 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014
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6C6P
| Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | Descriptor: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Padyana, A.K, Jin, L. | Deposit date: | 2018-01-19 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase. Nat Commun, 10, 2019
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6C6N
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6C6R
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6JW1
| Universal RVD R* accommodates 5mC via water-mediated interactions | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*CP*GP*CP*GP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*(5CM)P*GP*CP*GP*TP*CP*TP*CP*T)-3'), TAL effector | Authors: | Liu, L, Yi, C. | Deposit date: | 2019-04-18 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structural Insights into the Specific Recognition of 5-methylcytosine and 5-hydroxymethylcytosine by TAL Effectors. J.Mol.Biol., 432, 2020
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5Z3N
| Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base 5fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(5FC)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2018-01-08 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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7XC4
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin | Descriptor: | 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3 | Authors: | Li, J, Liu, Y, Gao, J, Ruan, K. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen. J.Med.Chem., 65, 2022
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5YTE
| Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTD
| large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the natural base pair 5fC:dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*(5FC)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTC
| Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with the unnatural base M-fC pair with dATP in the active site | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*(92F)P*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC)P*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTF
| Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base M-fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(92F)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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5YTG
| Structure of large fragment of DNA Polymerase I from Thermus aquaticus Host-Guest complex with the unnatural base I-fC pair with dA | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*CP*GP*GP*CP*GP*CP*CP*GP*(94O)P*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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