6Q4H
| CDK2 in complex with FragLite36 | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6JEZ
| Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | Descriptor: | (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... | Authors: | Kojima, H, Yamamoto, K, Itoh, T. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
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6Q4E
| CDK2 in complex with FragLite33 | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4K
| CDK2 in complex with FragLite38 | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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1C0O
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6K5O
| Development of Novel Lithocholic Acid Derivatives as Vitamin D Receptor Agonists | Descriptor: | (4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3-methylsulfonyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Masuno, H, Kagechika, H, Ito, N. | Deposit date: | 2019-05-29 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg.Med.Chem., 27, 2019
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1C9B
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6ALY
| Solution structure of yeast Med15 ABD2 residues 277-368 | Descriptor: | Mediator of RNA polymerase II transcription subunit 15 | Authors: | Tuttle, L.M, Pacheco, D, Warfield, L, Hahn, S, Klevit, R.E. | Deposit date: | 2017-08-08 | Release date: | 2018-03-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Gcn4-Mediator Specificity Is Mediated by a Large and Dynamic Fuzzy Protein-Protein Complex. Cell Rep, 22, 2018
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6GXZ
| Crystal structure of the human RPAP3(TPR2)-PIH1D1(CS) complex | Descriptor: | CALCIUM ION, PIH1 domain-containing protein 1, RNA polymerase II-associated protein 3 | Authors: | Henri, J, Quinternet, M, Manival, X, Chagot, M.-E, Charpentier, B, Meyer, P. | Deposit date: | 2018-06-27 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.965 Å) | Cite: | Deep Structural Analysis of RPAP3 and PIH1D1, Two Components of the HSP90 Co-chaperone R2TP Complex. Structure, 26, 2018
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4XR8
| Crystal structure of the HPV16 E6/E6AP/p53 ternary complex at 2.25 A resolution | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Martinez-Zapien, D, Ruiz, F.X, Mitschler, A, Podjarny, A, Trave, G, Zanier, K. | Deposit date: | 2015-01-20 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the E6/E6AP/p53 complex required for HPV-mediated degradation of p53. Nature, 529, 2016
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3NGI
| RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite dG | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), DNA (5'-D(*TP*CP*AP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), ... | Authors: | Wang, M, Wang, J, Konigsberg, W.H. | Deposit date: | 2010-06-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.886 Å) | Cite: | Variation in Mutation Rates Caused by RB69pol Fidelity Mutants Can Be Rationalized on the Basis of Their Kinetic Behavior and Crystal Structures. J.Mol.Biol., 406, 2011
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6Q3F
| CDK2 in complex with FragLite2 | Descriptor: | 4-bromanylpyridin-2-amine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-04 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4D
| CDK2 in complex with FragLite31 | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4C
| CDK2 in complex with FragLite16 | Descriptor: | 4-bromanyl-1,8-naphthyridine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4F
| CDK2 in complex with FragLite32 | Descriptor: | Cyclin-dependent kinase 2, PYRIDINE-2,6-DIAMINE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4A
| CDK2 in complex with FragLite14 | Descriptor: | 5-iodanylpyrimidine, CYCLIN-DEPENDENT KINASE 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6Q4I
| CDK2 in complex with FragLite35 | Descriptor: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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3CFO
| Triple Mutant APO structure | Descriptor: | DNA polymerase, GUANOSINE, SULFATE ION | Authors: | Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H. | Deposit date: | 2008-03-04 | Release date: | 2009-03-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into base selectivity from the structures
of an RB69 DNA Polymerase triple mutant To be Published
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6R0L
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6FDP
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1KEJ
| Crystal Structure of Murine Terminal Deoxynucleotidyl Transferase complexed with ddATP | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, SODIUM ION, ... | Authors: | Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C. | Deposit date: | 2001-11-16 | Release date: | 2002-05-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase. EMBO J., 21, 2002
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6FDT
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4A8J
| Crystal Structure of the Elongator subcomplex Elp456 | Descriptor: | ELONGATOR COMPLEX PROTEIN 4, ELONGATOR COMPLEX PROTEIN 5, ELONGATOR COMPLEX PROTEIN 6 | Authors: | Glatt, S, Mueller, C.W. | Deposit date: | 2011-11-21 | Release date: | 2012-02-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Elongator Subcomplex Elp456 is a Hexameric Reca-Like ATPase. Nat.Struct.Mol.Biol., 19, 2012
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3I8W
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2VB0
| Crystal structure of coxsackievirus B3 proteinase 3C | Descriptor: | CHLORIDE ION, POLYPROTEIN 3BCD | Authors: | Anand, K, Mesters, J.R, Goerlach, R, Zell, R, Hilgenfeld, R. | Deposit date: | 2007-09-05 | Release date: | 2008-10-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Coxsackie Virus B3 Proteinase 3C To be Published
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