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3KWY
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BU of 3kwy by Molmil
Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment
Descriptor: ACETATE ION, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha, ...
Authors:le Maire, A, Bourguet, W.
Deposit date:2009-12-02
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structural view of nuclear hormone receptor: endocrine disruptor interactions.
Cell.Mol.Life Sci., 67, 2010
5JOY
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BU of 5joy by Molmil
Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraLOG
Descriptor: (Z)-L-Arabinonhydroximo-1,4-lactone, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
3L11
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BU of 3l11 by Molmil
Crystal Structure of the Ring Domain of RNF168
Descriptor: E3 ubiquitin-protein ligase RNF168, MALONATE ION, ZINC ION
Authors:Neculai, D, Yermekbayeva, L, Crombet, L, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-12-10
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Molecular insights into the function of RING finger (RNF)-containing proteins hRNF8 and hRNF168 in Ubc13/Mms2-dependent ubiquitylation.
J.Biol.Chem., 287, 2012
5ULH
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BU of 5ulh by Molmil
Structure of RNF165 in complex with a UbcH5b~Ub conjugate
Descriptor: E3 ubiquitin-protein ligase RNF165, GLYCEROL, THIOCYANATE ION, ...
Authors:Middleton, A.J, Day, C.L, Wright, J.D.
Deposit date:2017-01-24
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
3L2P
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BU of 3l2p by Molmil
Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching Between Two DNA Bound States
Descriptor: 5'-D(*GP*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*CP*CP*G)-3', 5'-D(*GP*TP*CP*GP*GP*AP*CP*TP*G)-3', 5'-D(P*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*C)-3', ...
Authors:Cotner-Gohara, E.A, Kim, I.K, Hammel, M, Tainer, J.A, Tomkinson, A, Ellenberger, T.
Deposit date:2009-12-15
Release date:2010-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human DNA Ligase III Recognizes DNA Ends by Dynamic Switching between Two DNA-Bound States.
Biochemistry, 49, 2010
1C3Q
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BU of 1c3q by Molmil
CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, CHLORIDE ION, Hydroxyethylthiazole kinase
Authors:Campobasso, N, Mathews, I.I, Begley, T.P, Ealick, S.E.
Deposit date:1999-07-28
Release date:1999-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1S7T
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BU of 1s7t by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
5ULO
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BU of 5ulo by Molmil
Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein zeta/delta, L-PROLINAMIDE, ...
Authors:DONG, A, HU, J, MADIGAN, J, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC)
Deposit date:2017-01-25
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structure of 14-3-3 zeta in Complex with a Serine 124-phosphorylated TBC1D7 peptide
to be published
1S5P
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BU of 1s5p by Molmil
Structure and substrate binding properties of cobB, a Sir2 homolog protein deacetylase from Eschericia coli.
Descriptor: HISTONE H4 (RESIDUES 12-19), NAD-dependent deacetylase, ZINC ION
Authors:Zhao, K, Chai, X, Marmorstein, R.
Deposit date:2004-01-21
Release date:2004-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure and Substrate Binding Properties of cobB, a Sir2 Homolog Protein Deacetylase from Eschericia coli.
J.Mol.Biol., 337, 2004
3KEU
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BU of 3keu by Molmil
Crystal Structure of Human PL Kinase with bound PLP and ATP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Safo, M.K, Gandhi, A.K, Musayev, F.N.
Deposit date:2009-10-26
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of PL kinase in complex with MgATP and PLP: Structural basis of severe induced MgATP substrate inhibition of the enzyme
To be Published
5JVK
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BU of 5jvk by Molmil
Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, SULFATE ION, ...
Authors:Ali-Ahmad, A, Garron, M.L, Zamboni, V, Lenfant, N, Bourne, Y, Vincent, F.
Deposit date:2016-05-11
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2.
J. Struct. Biol., 197, 2017
3KMT
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BU of 3kmt by Molmil
Crystal structure of vSET/SAH/H3 ternary complex
Descriptor: A612L protein, Histone H3, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wei, H, Zhou, M.M.
Deposit date:2009-11-11
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dimerization of a viral SET protein endows its function.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KN1
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BU of 3kn1 by Molmil
Crystal Structure of Golgi Phosphoprotein 3 N-term Truncation Variant
Descriptor: Golgi phosphoprotein 3, SULFATE ION
Authors:Schmitz, K.R, Bessman, N.J, Setty, T.G, Ferguson, K.M.
Deposit date:2009-11-11
Release date:2009-12-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:PtdIns4P recognition by Vps74/GOLPH3 links PtdIns 4-kinase signaling to retrograde Golgi trafficking.
J.Cell Biol., 187, 2009
1S9O
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BU of 1s9o by Molmil
Solution structure of the nitrous acid induced DNA interstrand cross-linked dodecamer duplex CGCTAC(G)TAGCG with the cross-linked guanines denoted (G)
Descriptor: 5'-D(*CP*GP*CP*TP*AP*CP*GP*TP*AP*GP*CP*G)-3'
Authors:Edfeldt, N.B, Harwood, E.A, Sigurdsson, S.T, Hopkins, P.B, Reid, B.R.
Deposit date:2004-02-05
Release date:2005-11-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a nitrous acid induced DNA interstrand cross-link.
Nucleic Acids Res., 32, 2004
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5JWM
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BU of 5jwm by Molmil
Bivalent BET Bromodomain Inhibition
Descriptor: 2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamide, Bromodomain-containing protein 4
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2016-05-12
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Design and characterization of bivalent BET inhibitors.
Nat.Chem.Biol., 12, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
Descriptor: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
3K0H
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BU of 3k0h by Molmil
The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-24
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
5SZU
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BU of 5szu by Molmil
Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases
Descriptor: Acyl-CoA hydrolase, COENZYME A
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2016-08-15
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase.
J. Biol. Chem., 292, 2017
1S7R
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BU of 1s7r by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
5K32
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BU of 5k32 by Molmil
PDE4D crystal structure in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ...
Authors:Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J.
Deposit date:2016-05-19
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
3K15
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BU of 3k15 by Molmil
Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus
Descriptor: Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ...
Authors:Campbell, S.J, Edwards, R.A, Glover, J.N.
Deposit date:2009-09-25
Release date:2010-03-02
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
1BRQ
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BU of 1brq by Molmil
CRYSTAL STRUCTURE OF THE TRIGONAL FORM OF HUMAN PLASMA RETINOL-BINDING PROTEIN AT 2.5 ANGSTROMS RESOLUTION
Descriptor: RETINOL BINDING PROTEIN
Authors:Zanotti, G, Monaco, H.L.
Deposit date:1992-07-27
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the trigonal form of human plasma retinol-binding protein at 2.5 A resolution.
J.Mol.Biol., 230, 1993
4YHJ
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BU of 4yhj by Molmil
Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4 (GRK4)
Descriptor: AMP PHOSPHORAMIDATE, G protein-coupled receptor kinase 4
Authors:Allen, S.J, Parthasarathy, G, Soisson, S, Munshi, S.
Deposit date:2015-02-27
Release date:2015-07-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of the Hypertension Variant A486V of G Protein-coupled Receptor Kinase 4.
J.Biol.Chem., 290, 2015
5T5T
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BU of 5t5t by Molmil
AMPK bound to allosteric activator
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Calabrese, M.F, Kurumbail, R.G.
Deposit date:2016-08-31
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy.
J. Pharmacol. Exp. Ther., 361, 2017

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