7A4R
| Structure of DYRK1A in complex with compound 1 | Descriptor: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A55
| Structure of DYRK1A in complex with compound 8 | Descriptor: | 3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4W
| Structure of DYRK1A in complex with compound 3 | Descriptor: | 6-(4-methoxyphenyl)pyrimidine-2,4-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A52
| Structure of DYRK1A in complex with compound 6 | Descriptor: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5N
| Structure of DYRK1A in complex with compound 34 | Descriptor: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5D
| Structure of DYRK1A in complex with compound 16 | Descriptor: | 4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-21 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5B
| Structure of DYRK1A in complex with complex 10 | Descriptor: | 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Authors: | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | Deposit date: | 2020-08-20 | Release date: | 2021-06-30 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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5MH3
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6XCO
| Immune receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | Deposit date: | 2020-06-08 | Release date: | 2021-07-14 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8. Nat Commun, 12, 2021
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7MMN
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6ZZ2
| Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin | Descriptor: | DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ... | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | Deposit date: | 2020-08-03 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.14885437 Å) | Cite: | Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin To Be Published
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8VJI
| Cryo-EM of capsid of bacteriophage Chi | Descriptor: | Decorator protein D, Major capsid protein | Authors: | Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H. | Deposit date: | 2024-01-06 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of flagellotropic bacteriophage Chi. Structure, 32, 2024
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7A03
| The Structure of CHT | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Fernandes, G, Machado, E, Pereira, M, Brear, P, Lemos, E. | Deposit date: | 2020-08-06 | Release date: | 2021-08-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Exploring the genome of Chitinophaga (CB10) for metalocarboxipeptidase activity To Be Published
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8VHX
| Cryo-EM of neck of bacteriophage Chi | Descriptor: | Neck 1, Neck 2, Portal, ... | Authors: | Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H. | Deposit date: | 2024-01-02 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of flagellotropic bacteriophage Chi. Structure, 32, 2024
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4R88
| Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine | Descriptor: | 1,2-ETHANEDIOL, 5-fluorocytosine, ACETIC ACID, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-08-29 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-fluorocytosine To be Published
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8BNA
| BINDING OF HOECHST 33258 TO THE MINOR GROOVE OF B-DNA | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Pjura, P.E, Grzeskowiak, K, Dickerson, R.E. | Deposit date: | 1986-08-29 | Release date: | 1987-01-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Binding of Hoechst 33258 to the minor groove of B-DNA. J.Mol.Biol., 197, 1987
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6V3D
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6V6K
| EGFR(T790M/V948R) in complex with LN2057 | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Authors: | Heppner, D.E, Eck, M.J. | Deposit date: | 2019-12-05 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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4QR9
| Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA | Descriptor: | DNA (5'-D(*AP*TP*AP*TP*CP*GP*AP*TP*AP*T)-3'), High mobility group protein B1, MAGNESIUM ION | Authors: | Sanchez-Giraldo, R, Acosta-Reyes, F.J, Malarkey, C.S, Saperas, N, Churchill, M.E.A, Campos, J.L. | Deposit date: | 2014-06-30 | Release date: | 2015-07-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two high-mobility group box domains act together to underwind and kink DNA. Acta Crystallogr.,Sect.D, 71, 2015
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6POL
| Crystal structure of the human NELL1 EGF1-3-Robo3 FN1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, J, Pak, J.S, Ozkan, E. | Deposit date: | 2019-07-04 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance. Nat Commun, 11, 2020
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7ABL
| HBV pgRNA T=4 NCP icosahedral symmetry | Descriptor: | Capsid protein | Authors: | Patel, N, Clark, S, Weis, E.U, Mata, C.P, Bohon, J, Farquhar, E, Ranson, N.A, Twarock, R, Stockley, P.G. | Deposit date: | 2020-09-07 | Release date: | 2021-10-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | In vitro functional analysis of gRNA sites regulating assembly of hepatitis B virus. Commun Biol, 4, 2021
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6V3B
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6AN2
| STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5 | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | Authors: | Martinez, S.E, Das, K, Arnold, E. | Deposit date: | 2017-08-11 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
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8DNR
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8DO4
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