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4QYY
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BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
8GJS
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BU of 8gjs by Molmil
Stapled Peptide ALRN-6924 Bound to MDMX
Descriptor: ACE-LEU-THR-PHE-ALA-GLU-TYR-TRP-ALA-GLN-LEU-DAL-ALA-ALA-ALA-ALA-ALA-DAL, Protein Mdm4
Authors:Graves, B.J, Janson, C, Lukacs, C.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Sulanemadlin (ALRN-6924), the First Cell-Permeating, Stabilized alpha-Helical Peptide in Clinical Development.
J.Med.Chem., 66, 2023
1TQF
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BU of 1tqf by Molmil
Crystal structure of human Beta secretase complexed with inhibitor
Descriptor: 3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE, Beta-secretase 1
Authors:Munshi, S, Chen, Z, Kuo, L.
Deposit date:2004-06-17
Release date:2004-11-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.
J.Med.Chem., 47, 2004
4N5T
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BU of 4n5t by Molmil
The 1.7A Crystal Structure of MDMX with a Stapled Peptide, ATSP-7041
Descriptor: ATSP-7041 stapled-peptide, Protein Mdm4
Authors:Graves, B.J, Lukacs, C, Janson, C.A.
Deposit date:2013-10-10
Release date:2013-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stapled alpha-helical peptide drug development: a potent dual inhibitor of MDM2 and MDMX for p53-dependent cancer therapy.
Proc.Natl.Acad.Sci.USA, 110, 2013

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