6ER0
 
 | | 6th KOW domain of human hSpt5 | | Descriptor: | Transcription elongation factor SPT5 | | Authors: | Hahn, L, Schweimer, K, Roesch, P, Woehrl, B.M. | | Deposit date: | 2017-10-16 | | Release date: | 2018-10-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF.
Sci Rep, 8, 2018
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3BLQ
 | | Crystal Structure of Human CDK9/cyclinT1 in Complex with ATP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 9, ... | | Authors: | Baumli, S, Lolli, G, Lowe, E.D, Johnson, L.N. | | Deposit date: | 2007-12-11 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation
Embo J., 27, 2008
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5AWK
 | | Crystal structure of VDR-LBD/partial agonist complex: 22S-ethyl analogue | | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-ethyl-5-oxidanyl-pentan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2015-07-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
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5AWJ
 | | Crystal structure of VDR-LBD/partial agonist complex: 22S-hexyl analogue | | Descriptor: | (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)nonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor,Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Inaba, Y, Nakabayashi, M, Ikura, T, Ito, N, Yamamoto, K. | | Deposit date: | 2015-07-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fine tuning of agonistic/antagonistic activity for vitamin D receptor by 22-alkyl chain length of ligands: 22S-Hexyl compound unexpectedly restored agonistic activity.
Bioorg.Med.Chem., 23, 2015
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1TL6
 | | Solution structure of T4 bacteriphage AsiA monomer | | Descriptor: | 10 kDa anti-sigma factor | | Authors: | Lambert, L.J, Wei, Y, Schirf, V, Demeler, B, Werner, M.H. | | Deposit date: | 2004-06-09 | | Release date: | 2005-06-21 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | T4 AsiA blocks DNA recognition by remodeling sigma70 region 4
Embo J., 23, 2004
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1Q1H
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4I80
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3BPN
 | | Crystal structure of the IL4-IL4R-IL13Ra ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-13 receptor alpha-1 chain, Interleukin-4, ... | | Authors: | Garcia, K.C. | | Deposit date: | 2007-12-18 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
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6FFA
 | | FMDV Leader protease bound to substrate ISG15 | | Descriptor: | GLYCEROL, Lbpro, SULFATE ION, ... | | Authors: | Swatek, K.N, Pruneda, J.N, Komander, D. | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Irreversible inactivation of ISG15 by a viral leader protease enables alternative infection detection strategies.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2B2N
 | | Structure of transcription-repair coupling factor | | Descriptor: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, SODIUM ION, SULFATE ION, ... | | Authors: | Assenmacher, N, Wenig, K, Lammens, A, Hopfner, K.-P. | | Deposit date: | 2005-09-19 | | Release date: | 2006-01-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Transcription-coupled Repair: the N Terminus of Mfd Resembles UvrB with Degenerate ATPase Motifs
J.Mol.Biol., 355, 2006
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5OND
 | | RfaH from Escherichia coli in complex with ops DNA | | Descriptor: | DNA (5'-D(*GP*CP*GP*GP*TP*AP*GP*TP*C)-3'), Transcription antitermination protein RfaH | | Authors: | Zuber, P.K, Artsimovitch, I, Roesch, P, Knauer, S.H. | | Deposit date: | 2017-08-03 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The universally-conserved transcription factor RfaH is recruited to a hairpin structure of the non-template DNA strand.
Elife, 7, 2018
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3BPL
 | | Crystal structure of the IL4-IL4R-Common Gamma ternary complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garcia, K.C. | | Deposit date: | 2007-12-18 | | Release date: | 2008-02-05 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Molecular and Structural Basis of Cytokine Receptor Pleiotropy in the Interleukin-4/13 System.
Cell(Cambridge,Mass.), 132, 2008
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1C9B
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1DM2
 | | HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE | | Descriptor: | 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Thunnissen, A.M, Kim, S.-H. | | Deposit date: | 1999-12-13 | | Release date: | 2000-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent.
Chem.Biol., 7, 2000
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6N3H
 | | Crystal structure of Kelch domain of the human NS1 binding protein | | Descriptor: | Influenza virus NS1A-binding protein | | Authors: | Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4JJM
 | | Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase, cyclosporin A | | Authors: | Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E. | | Deposit date: | 2013-03-08 | | Release date: | 2013-06-12 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins.
Plant Physiol., 162, 2013
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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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3B39
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2IBK
 | | Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*AP*T)-3', ... | | Authors: | Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M. | | Deposit date: | 2006-09-11 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2IA6
 | | Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*A)-3', ... | | Authors: | Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M. | | Deposit date: | 2006-09-07 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6Q4B
 | | CDK2 in complex with FragLite13 | | Descriptor: | 5-bromanylpyrimidine, 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 (1.12 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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6Q4J
 | | CDK2 in complex with FragLite34 | | Descriptor: | 2-[3-(pyrimidin-4-ylamino)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 (1.05 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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4ATG
 | | TAF6 C-terminal domain from Antonospora locustae | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, TAF6 | | Authors: | Romier, C. | | Deposit date: | 2012-05-07 | | Release date: | 2012-06-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | TFIID Taf6-Taf9 Complex Formation Involves the Heat Repeat-Containing C-Terminal Domain of Taf6 and is Modulated by Taf5 Protein.
J.Biol.Chem., 287, 2012
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6Q3C
 | | CDK2 in complex with FragLite1 | | Descriptor: | 4-bromo-1H-pyrazole, 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 (1.29 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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6Q3B
 | | CDK2 in complex with FragLite2 | | Descriptor: | 4-IODOPYRAZOLE, 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 (1.11 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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