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1T64
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BU of 1t64 by Molmil
Crystal Structure of human HDAC8 complexed with Trichostatin A
Descriptor: CALCIUM ION, Histone deacetylase 8, SODIUM ION, ...
Authors:Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
5X6V
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BU of 5x6v by Molmil
Crystal structure of human heteroheptameric complex
Descriptor: ACETATE ION, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ...
Authors:Yonehara, R, Nada, S, Nakai, T, Nakai, M, Kitamura, A, Ogawa, A, Nakatsumi, H, Nakayama, K.I, Li, S, Standley, D.M, Yamashita, E, Nakagawa, A, Okada, M.
Deposit date:2017-02-23
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis for the assembly of the Ragulator-Rag GTPase complex.
Nat Commun, 8, 2017
6W6D
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BU of 6w6d by Molmil
Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor
Descriptor: (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2020-03-16
Release date:2020-04-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6.
J.Med.Chem., 64, 2021
6T5F
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BU of 6t5f by Molmil
Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-195
Descriptor: 14-3-3 protein sigma, StARD1 peptide
Authors:Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A.
Deposit date:2019-10-16
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family.
Febs J., 287, 2020
5ZJT
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BU of 5zjt by Molmil
Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*AP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*TP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZJS
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BU of 5zjs by Molmil
Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence
Descriptor: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
Authors:Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
Deposit date:2018-03-22
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
6TAC
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BU of 6tac by Molmil
Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Houry, D, Raasakka, A, Kursula, P, Ziegler, M.
Deposit date:2019-10-29
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
3ELO
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BU of 3elo by Molmil
Crystal Structure of Human Pancreatic Prophospholipase A2
Descriptor: Phospholipase A2, SULFATE ION
Authors:Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J.
Deposit date:2008-09-22
Release date:2009-04-14
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
5VOK
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BU of 5vok by Molmil
Crystal structure of the C7orf59-HBXIP dimer
Descriptor: Ragulator complex protein LAMTOR4, Ragulator complex protein LAMTOR5
Authors:Rasheed, N, Nascimento, A.F.Z, Bar-Peled, L, Shen, K, Sabatini, D.M, Aparicio, R, Smetana, J.H.C.
Deposit date:2017-05-03
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:C7orf59/Lamtor4 phosphorylation and structural flexibility modulate Ragulator assembly.
Febs Open Bio, 2019
5VPE
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BU of 5vpe by Molmil
Transcription factor FosB/JunD bZIP domain in complex with cognate DNA, type-I crystal
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*TP*CP*GP*GP*TP*GP*AP*CP*TP*CP*AP*CP*CP*GP*AP*CP*G)-3'), ...
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
1TYQ
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BU of 1tyq by Molmil
Crystal structure of Arp2/3 complex with bound ATP and calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin-related Protein 2, Actin-related protein 3, ...
Authors:Nolen, B.J, Littlefield, R.S, Pollard, T.D.
Deposit date:2004-07-08
Release date:2004-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures of actin-related protein 2/3 complex with bound ATP or ADP
Proc.Natl.Acad.Sci.Usa, 101, 2004
1TI7
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BU of 1ti7 by Molmil
CRYSTAL STRUCTURE OF NMRA, A NEGATIVE TRANSCRIPTIONAL REGULATOR, IN COMPLEX WITH NADP AT 1.7A RESOLUTION
Descriptor: CHLORIDE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lamb, H.K, Leslie, K, Dodds, A.L, Nutley, M, Cooper, A, Johnson, C, Thompson, P, Stammers, D.K, Hawkins, A.R.
Deposit date:2004-06-02
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The negative transcriptional regulator NmrA discriminates between oxidized and reduced dinucleotides.
J.Biol.Chem., 278, 2003
5VJI
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BU of 5vji by Molmil
Crystal structure of the CLOCK Transcription Domain Exon19 in Complex with a Repressor
Descriptor: CLOCK-interacting pacemaker, Circadian locomoter output cycles protein kaput
Authors:Hou, Z, Su, L, Pei, J, Grishin, N.V, Zhang, H.
Deposit date:2017-04-19
Release date:2017-06-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the CLOCK Transactivation Domain Exon19 in Complex with a Repressor.
Structure, 25, 2017
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
6W9K
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BU of 6w9k by Molmil
Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment
Descriptor: GLYCEROL, Glucocorticoid Receptor, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Liu, X, Ortlund, E.A.
Deposit date:2020-03-23
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disruption of a key ligand-H-bond network drives dissociative properties in vamorolone for Duchenne muscular dystrophy treatment.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VPA
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BU of 5vpa by Molmil
Transcription factor FosB/JunD bZIP domain
Descriptor: CHLORIDE ION, Protein fosB, SODIUM ION, ...
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2017-05-04
Release date:2017-09-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Activator Protein-1: redox switch controlling structure and DNA-binding.
Nucleic Acids Res., 45, 2017
3FVJ
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BU of 3fvj by Molmil
Crystal structure of phospholipase A2 1B crystallized in the presence of octyl sulfate
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Pan, Y.H.
Deposit date:2009-01-15
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a premicellar complex of alkyl sulfates with the interfacial binding surfaces of four subunits of phospholipase A2.
Biochim.Biophys.Acta, 1804, 2010
5ZG9
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BU of 5zg9 by Molmil
Crystal structure of MoSub1-ssDNA complex in phosphate buffer
Descriptor: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*G)-3'), MoSub1, PHOSPHATE ION
Authors:Zhao, Y, Huang, J, Liu, H, Yi, L, Wang, S, Zhang, X, Liu, J.
Deposit date:2018-03-08
Release date:2019-03-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The effect of phosphate ion on the ssDNA binding mode of MoSub1, a Sub1/PC4 homolog from rice blast fungus.
Proteins, 87, 2019
2JX8
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BU of 2jx8 by Molmil
Solution structure of hPCIF1 WW domain
Descriptor: Phosphorylated CTD-interacting factor 1
Authors:Kouno, T, Iwamoto, Y, Hirose, Y, Aizawa, T, Demura, M, Kawano, K, Ohkuma, Y, Mizuguchi, M.
Deposit date:2007-11-09
Release date:2008-11-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H, 13C, and 15N resonance assignments of hPCIF1 WW domain
To be Published
3P1S
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BU of 3p1s by Molmil
Crystal structure of human 14-3-3 sigma C38N/N166H in complex with TASK-3 peptide and stabilizer fusicoccin A
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CHLORIDE ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013
5WFD
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BU of 5wfd by Molmil
Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126
Descriptor: 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-07-11
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
2JUL
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BU of 2jul by Molmil
NMR Structure of DREAM
Descriptor: CALCIUM ION, Calsenilin
Authors:Ames, J.
Deposit date:2007-08-30
Release date:2008-04-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of DREAM: Implications for Ca(2+)-dependent DNA binding and protein dimerization.
Biochemistry, 47, 2008
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
Descriptor: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
Authors:Agarwal, S, Cho, T.Y.
Deposit date:2017-06-29
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
5WF7
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BU of 5wf7 by Molmil
Chaetomium thermophilum Polycomb Repressive Complex 2 bound to GSK126
Descriptor: 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ...
Authors:Bratkowski, M.A, Liu, X.
Deposit date:2017-07-11
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
3P1R
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BU of 3p1r by Molmil
Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide
Descriptor: 14-3-3 protein sigma, 6-mer peptide from Potassium channel subfamily K member 9, CALCIUM ION, ...
Authors:Anders, C, Higuchi, Y, Schumacher, B, Thiel, P, Kato, N, Ottmann, C.
Deposit date:2010-09-30
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface
Chem. Biol., 20, 2013

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