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7BED
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BU of 7bed by Molmil
X-ray structure of WDR5 bound to the WDR5 win motif peptide
Descriptor: SULFATE ION, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-23
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
7BCY
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BU of 7bcy by Molmil
X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide
Descriptor: ORF 73, WD repeat-containing protein 5
Authors:McVey, C.E, Kaye, K.M.
Deposit date:2020-12-21
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:MLL1 is regulated by KSHV LANA and is important for virus latency.
Nucleic Acids Res., 49, 2021
2KTU
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BU of 2ktu by Molmil
Human eRF1 C-domain, "closed" conformer
Descriptor: Eukaryotic peptide chain release factor subunit 1
Authors:Mantsyzov, A.B, Polshakov, V.I, Birdsall, B.
Deposit date:2010-02-09
Release date:2010-06-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR assignments of the C-terminal domain of human polypeptide release factor eRF1.
Biomol.Nmr Assign., 1, 2007
2KDP
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BU of 2kdp by Molmil
Solution Structure of the SAP30 zinc finger motif
Descriptor: Histone deacetylase complex subunit SAP30, ZINC ION
Authors:He, Y, Imhoff, R, Sahu, A, Radhakrishnan, I.
Deposit date:2009-01-14
Release date:2009-03-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of a novel zinc finger motif in the SAP30 polypeptide of the Sin3 corepressor complex and its potential role in nucleic acid recognition
Nucleic Acids Res., 37, 2009
4PJW
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BU of 4pjw by Molmil
crystal structure of human Stromal Antigen 2 (SA2) in complex with Sister Chromatid Cohesion protein 1 (Scc1), with bound MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog
Authors:Hara, K, Chen, Z, Tomchick, D.R, Yu, H.
Deposit date:2014-05-12
Release date:2014-08-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of cohesin subcomplex pinpoints direct shugoshin-Wapl antagonism in centromeric cohesion.
Nat.Struct.Mol.Biol., 21, 2014
4PL7
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BU of 4pl7 by Molmil
Structure of Komagataella pastoris actin-thymosin beta4 hybrid
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin,Thymosin beta-4, CALCIUM ION
Authors:Xue, B, Robinson, R.C.
Deposit date:2014-05-16
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of thymosin-beta 4/profilin exchange leading to actin filament polymerization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PJT
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BU of 4pjt by Molmil
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
Descriptor: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, GLYCEROL, Poly [ADP-ribose] polymerase 1, ...
Authors:Aoyagi-Scharber, M, Gardberg, A.S, Arakaki, T.L.
Deposit date:2014-05-12
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Acta Crystallogr.,Sect.F, 70, 2014
4PJU
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BU of 4pju by Molmil
crystal structure of human Stromal Antigen 2 (SA2) in complex with Sister Chromatid Cohesion protein 1 (Scc1)
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog
Authors:Hara, K, Chen, Z, Tomchick, D.R, Yu, H.
Deposit date:2014-05-12
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of cohesin subcomplex pinpoints direct shugoshin-Wapl antagonism in centromeric cohesion.
Nat.Struct.Mol.Biol., 21, 2014
4PL8
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BU of 4pl8 by Molmil
Structure of rabbit skeletal muscle actin in complex with a hybrid peptide comprising thymosin beta4 and the lysine-rich region of Cordon-Bleu
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Xue, B, Robinson, R.C.
Deposit date:2014-05-16
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of thymosin-beta 4/profilin exchange leading to actin filament polymerization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PK7
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BU of 4pk7 by Molmil
crystal structure of human Stromal Antigen 2 (SA2) in complex with Sister Chromatid Cohesion protein 1 (Scc1) with bound MES, native proteins
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog
Authors:Hara, K, Chen, Z, Tomchick, D.R, Yu, H.
Deposit date:2014-05-13
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of cohesin subcomplex pinpoints direct shugoshin-Wapl antagonism in centromeric cohesion.
Nat.Struct.Mol.Biol., 21, 2014
7EPZ
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BU of 7epz by Molmil
Overall structure of Erastin-bound xCT-4F2hc complex
Descriptor: 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-04-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
4RXQ
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BU of 4rxq by Molmil
The structure of GTP-dUTP-bound SAMHD1
Descriptor: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
4RXO
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BU of 4rxo by Molmil
The structure of GTP-bound SAMHD1
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ...
Authors:Zhu, C.F, Wei, W, Peng, X, Dong, Y.H, Gong, Y, Yu, X.F.
Deposit date:2014-12-11
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The mechanism of substrate-controlled allosteric regulation of SAMHD1 activated by GTP.
Acta Crystallogr.,Sect.D, 71, 2015
7EQ7
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BU of 7eq7 by Molmil
Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
Descriptor: Annexin A2, CALCIUM ION
Authors:Liu, X, Yang, G.
Deposit date:2021-04-30
Release date:2022-05-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Co-Crystal Structure Analysis of Annexin A2 and 5alpha-EAL
To be published
4RV6
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BU of 4rv6 by Molmil
Human ARTD1 (PARP1) catalytic domain in complex with inhibitor Rucaparib
Descriptor: Poly [ADP-ribose] polymerase 1, Rucaparib, SULFATE ION
Authors:Karlberg, T, Thorsell, A.G, Schuler, H.
Deposit date:2014-11-25
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
2KIZ
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BU of 2kiz by Molmil
Solution structure of Arkadia RING-H2 finger domain
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Kandias, N.G, Chasapis, C.T, Bentrop, D, Episkopou, V, Spyroulias, G.A.
Deposit date:2009-05-13
Release date:2010-05-19
Last modified:2013-03-20
Method:SOLUTION NMR
Cite:NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase.
Proteins, 80, 2012
4TO0
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BU of 4to0 by Molmil
Structure basis of cellular dNTP regulation, SAMHD1-GTP-dATP-dCTP complex
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TO3
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BU of 4to3 by Molmil
Structural basis of cellular dNTP regulation, SAMHD1-dGTP-dGTP-dCTP complex
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y.
Deposit date:2014-06-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of cellular dNTP regulation by SAMHD1.
Proc.Natl.Acad.Sci.USA, 111, 2014
2KMD
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BU of 2kmd by Molmil
Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to co-activator CBP
Descriptor: Protein C-ets-1
Authors:Nelson, M.L, Kang, H, Lee, G.M, Blaszczak, A.G, Lau, D.K.W, McIntosh, L.P, Graves, B.J.
Deposit date:2009-07-27
Release date:2010-05-05
Last modified:2012-03-21
Method:SOLUTION NMR
Cite:Ras signaling requires dynamic properties of Ets1 for phosphorylation-enhanced binding to coactivator CBP.
Proc.Natl.Acad.Sci.USA, 107, 2010
2KTV
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BU of 2ktv by Molmil
Human eRF1 C-domain, "open" conformer
Descriptor: Eukaryotic peptide chain release factor subunit 1
Authors:Mantsyzov, A.B, Polshakov, V.I, Birdsall, B.
Deposit date:2010-02-09
Release date:2010-06-09
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure and function of the C-terminal domain of eukaryotic class 1 polypeptide chain release factor.
Febs J., 277, 2010
7C2Z
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BU of 7c2z by Molmil
Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone
Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID
Authors:Li, J, Zhu, J.
Deposit date:2020-05-10
Release date:2021-05-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
2KTB
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BU of 2ktb by Molmil
Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3
Descriptor: H3_Peptide, Protein polybromo-1
Authors:Charlop-Powers, Z, Zhang, Q, Zeng, L.
Deposit date:2010-01-26
Release date:2010-05-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2.
Cell Res., 20, 2010
2KNV
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BU of 2knv by Molmil
NMR dimer structure of the UBA domain of p62 (SQSTM1)
Descriptor: Sequestosome-1
Authors:Long, J.E, Searle, M.S.
Deposit date:2009-09-04
Release date:2009-12-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Dimerisation of the UBA Domain of p62 Inhibits Ubiquitin Binding and Regulates NF-kappaB Signalling
J.Mol.Biol., 2009
4O78
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BU of 4o78 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ...
Authors:Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
Deposit date:2013-12-24
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
2KRM
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BU of 2krm by Molmil
RDC refined solution structure of the first SH3 domain of CD2AP
Descriptor: CD2-associated protein
Authors:Ortega Roldan, J.A.J, Azuaga, A.I, van Nuland, N.A.J.
Deposit date:2009-12-21
Release date:2011-01-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure, Dynamics and Thermodynamics of the three SH3 domains of CD2AP
To be Published

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