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4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT2
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BU of 4tt2 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4K5Ac
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU6
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BU of 4tu6 by Molmil
Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT6
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BU of 4tt6 by Molmil
Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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BU of 4tte by Molmil
Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
7B1O
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BU of 7b1o by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complex with compound 22
Descriptor: 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lammens, A, Krapp, S, Lewis, R.T, Hamilton, M.M.
Deposit date:2020-11-25
Release date:2021-09-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme.
J.Med.Chem., 64, 2021
2KW6
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BU of 2kw6 by Molmil
Solution NMR Structure of Cyclin-dependent kinase 2-associated protein 1 (CDK2-associated protein 1; oral cancer suppressor Deleted in oral cancer 1, DOC-1) from H.sapiens, Northeast Structural Genomics Consortium Target Target HR3057H
Descriptor: Cyclin-dependent kinase 2-associated protein 1
Authors:Ertekin, A, Aramini, J.M, Rossi, P, Lee, A.B, Jiang, M, Ciccosanti, C.T, Xiao, R, Swapna, G.V.T, Rost, B, Everett, J.K, Acton, T.B, Prestegard, J.H, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-05-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Human cyclin-dependent kinase 2-associated protein 1 (CDK2AP1) is dimeric in its disulfide-reduced state, with natively disordered N-terminal region.
J.Biol.Chem., 287, 2012
4WUH
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BU of 4wuh by Molmil
Crystal structure of E. faecalis DNA binding domain LiaR wild type complexed with 22bp DNA
Descriptor: DNA (5'-D(P*AP*AP*AP*TP*CP*G)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*AP*AP*GP*AP*AP*CP*GP*AP*TP*TP*T)-3'), DNA (5'-D(P*TP*TP*CP*TP*TP*AP*AP*GP*TP*CP*C)-3'), ...
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-31
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
4WSZ
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BU of 4wsz by Molmil
Crystal structure of the DNA binding domains of wild type LiaR from E. faecalis
Descriptor: ACETATE ION, GLYCEROL, PRASEODYMIUM ION, ...
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-29
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
4WT0
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BU of 4wt0 by Molmil
Crystal structure of the DNA binding domains of LiaRD191N from E. faecalis
Descriptor: PRASEODYMIUM ION, Response regulator receiver domain protein
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-29
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
4WUL
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BU of 4wul by Molmil
Crystal structure of E. faecalis DNA binding domain LiaRD191N complexed with 26bp DNA
Descriptor: DNA (26-MER), Response regulator receiver domain protein
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-11-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
4WU4
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BU of 4wu4 by Molmil
Crystal structure of E. faecalis DNA binding domain LiaRD191N complexed with 22bp DNA
Descriptor: DNA (5'-D(P*AP*AP*AP*TP*CP*GP*TP*TP*CP*TP*TP*AP*AP*GP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*AP*AP*GP*AP*AP*CP*GP*AP*TP*TP*T)-3'), GLYCEROL, ...
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2014-10-31
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin.
Nucleic Acids Res., 43, 2015
5HEV
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BU of 5hev by Molmil
Crystal Structure of the beryllofluoride-activated LiaR from Enterococcus faecium
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator protein VraR
Authors:Davlieva, M, Shamoo, Y.
Deposit date:2016-01-06
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.192 Å)
Cite:An Adaptive Mutation in Enterococcus faecium LiaR Associated with Antimicrobial Peptide Resistance Mimics Phosphorylation and Stabilizes LiaR in an Activated State.
J.Mol.Biol., 428, 2016
3R66
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BU of 3r66 by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza virus B, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
Descriptor: Non-structural protein 1, Ubiquitin-like protein ISG15
Authors:Guan, R, Ma, L.C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-03-21
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure of the complex of ISG15 and Influenza B virus NS1 Protein: implications for the mechanism of SN1-mediated inhibition of ISG15 conjugation
To be Published
3SDL
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BU of 3sdl by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza B virus, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
Descriptor: Non-structural protein 1, Ubiquitin-like protein ISG15
Authors:Guan, R, Ma, L.-C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-06-09
Release date:2011-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural basis for the sequence-specific recognition of human ISG15 by the NS1 protein of influenza B virus.
Proc.Natl.Acad.Sci.USA, 108, 2011
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