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5TL8
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BU of 5tl8 by Molmil
Naegleria fowleri CYP51-posaconazole complex
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, POSACONAZOLE, ...
Authors:Podust, L.M, Jennings, G, Calvet-Alvarez, C, Debnath, A.
Deposit date:2016-10-10
Release date:2017-10-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure of the Naegleria fowleri CYP51 at 1.7 Angstroms resolution
To be published
3OT3
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BU of 3ot3 by Molmil
X-ray crystal structure of compound 22k bound to human Chk1 kinase domain
Descriptor: 5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-09-10
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2.
Bioorg.Med.Chem.Lett., 21, 2011
3OT8
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BU of 3ot8 by Molmil
X-ray crystal structure of compound 17r bound to human Chk1 kinase domain
Descriptor: GLYCEROL, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2010-09-10
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6455 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Bioorg.Med.Chem.Lett., 21, 2011
4MBI
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BU of 4mbi by Molmil
Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors
Descriptor: N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine, Serine/threonine-protein kinase pim-1
Authors:Azevedo, R, Fischmann, T.O.
Deposit date:2013-08-19
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
4MBL
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BU of 4mbl by Molmil
Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors
Descriptor: (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1
Authors:Azevedo, R, Fischmann, T.O.
Deposit date:2013-08-19
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
6C7N
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BU of 6c7n by Molmil
Monoclinic form of malic enzyme from sorghum at 2 angstroms resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Malic enzyme, ...
Authors:Trajtenberg, F, Alvarez, C, Buschiazzo, A.
Deposit date:2018-01-23
Release date:2019-01-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular adaptations of NADP-malic enzyme for its function in C4photosynthesis in grasses.
Nat.Plants, 5, 2019
7VKV
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BU of 7vkv by Molmil
NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti
Descriptor: zeta-subunit
Authors:Yang, L.Y, Mendoza-Hoffmann, F, Buratto, D.
Deposit date:2021-10-01
Release date:2021-10-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inhibitory to non-inhibitory evolution of the zeta subunit of the F 1 F O -ATPase of Paracoccus denitrificans and alpha-proteobacteria as related to mitochondrial endosymbiosis.
Front Mol Biosci, 10, 2023
2R3R
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BU of 2r3r by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2021-07-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2R3Q
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BU of 2r3q by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
Descriptor: 3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide, Cell division protein kinase 2
Authors:Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
Deposit date:2007-08-29
Release date:2008-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008

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