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2KH3
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BU of 2kh3 by Molmil
NMR Structure of Aflatoxin Formamidopyrimidine alpha-anomer in duplex DNA
Descriptor: 5'-D(*CP*TP*AP*TP*(FAG)P*AP*TP*TP*CP*A)-3', 5'-D(*TP*GP*AP*AP*TP*CP*AP*TP*AP*G)-3'
Authors:Brown, K.L.
Deposit date:2009-03-24
Release date:2009-12-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA
J.Am.Chem.Soc., 131, 2009
2KH4
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BU of 2kh4 by Molmil
Aflatoxin Formamidopyrimidine alpha anomer in single strand DNA
Descriptor: 5'-D(*CP*TP*(FAG)P*A)-3'
Authors:Brown, K.L.
Deposit date:2009-03-24
Release date:2009-12-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural perturbations induced by the alpha-anomer of the aflatoxin B(1) formamidopyrimidine adduct in duplex and single-strand DNA
J.Am.Chem.Soc., 131, 2009
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
Descriptor: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
3KC3
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BU of 3kc3 by Molmil
MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
Descriptor: MAP kinase-activated protein kinase 2, N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-20
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
4HS2
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BU of 4hs2 by Molmil
Crystal Structure of the Human SPOP C-terminal Domain
Descriptor: Speckle-type POZ protein
Authors:Van Geersdaele, L.K, Stead, M.A, Carr, S.B, Wright, S.C.
Deposit date:2012-10-29
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP.
Acta Crystallogr.,Sect.D, 69, 2013
4J8Z
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BU of 4j8z by Molmil
Crystal Structure of the Human SPOP BTB Domain
Descriptor: Speckle-type POZ protein
Authors:Stead, M.A, Wright, S.C.
Deposit date:2013-02-15
Release date:2013-09-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis of high-order oligomerization of the cullin-3 adaptor SPOP
Acta Crystallogr.,Sect.D, 69, 2013
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