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4I5H
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BU of 4i5h by Molmil
Crystal Structure of a Double Mutant Rat Erk2 Complexed With a Type II Quinazoline Inhibitor
Descriptor: Mitogen-activated protein kinase 1, N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2012-11-28
Release date:2013-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence determinants of a specific inactive protein kinase conformation.
Chem.Biol., 20, 2013
6BQC
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BU of 6bqc by Molmil
Cyclopropane fatty acid synthase from E. coli
Descriptor: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
Authors:Hari, S.B, Grant, R.A, Sauer, R.T.
Deposit date:2017-11-27
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.073 Å)
Cite:Structural and Functional Analysis of E. coli Cyclopropane Fatty Acid Synthase.
Structure, 26, 2018
3K79
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BU of 3k79 by Molmil
C38A, C52V Cysteine-Free Variant of Rop (Rom)
Descriptor: Regulatory protein rop
Authors:Hari, S.B, Magliery, T.J.
Deposit date:2009-10-12
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cysteine-free Rop: a four-helix bundle core mutant has wild-type stability and structure but dramatically different unfolding kinetics.
Protein Sci., 19, 2010
4N4S
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BU of 4n4s by Molmil
A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor
Descriptor: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2013-10-08
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases.
Chem.Biol., 21, 2014
5HGI
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BU of 5hgi by Molmil
Crystal structure of apo human IRE1 alpha
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CESIUM ION, ...
Authors:Feldman, H.C, Tong, M, Wang, L, Meza-Acevedo, R, Gobillot, T.A, Gliedt, J.M, Hari, S.B, Mitra, A.K, Backes, B.J, Papa, F.R, Seeliger, M.A, Maly, D.J.
Deposit date:2016-01-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.584 Å)
Cite:Structural and Functional Analysis of the Allosteric Inhibition of IRE1 alpha with ATP-Competitive Ligands.
Acs Chem.Biol., 11, 2016
4EQU
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BU of 4equ by Molmil
Human STK-10 (LOK) kinase domain in DFG-out conformation with inhibitor DSA-7
Descriptor: CALCIUM ION, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide, PENTAETHYLENE GLYCOL, ...
Authors:Merritt, E.A, Larson, E.T.
Deposit date:2012-04-19
Release date:2012-11-07
Last modified:2012-12-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity-Based Probes Based on Type II Kinase Inhibitors.
J.Am.Chem.Soc., 134, 2012
5J5S
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BU of 5j5s by Molmil
Src kinase in complex with a sulfonamide inhibitor
Descriptor: N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M.
Deposit date:2016-04-03
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors
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