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2MTX
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BU of 2mtx by Molmil
Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures
Descriptor: Apical membrane antigen-1
Authors:Cubillos, M, Salazar, L, Torres, L, Sandoval, M, Patarroyo, M.E.
Deposit date:2014-09-01
Release date:2015-02-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures
To be Published
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
Descriptor: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
Authors:Lesburg, C.A, Patel, S.B.
Deposit date:2017-08-01
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
5T1T
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BU of 5t1t by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
5T1S
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BU of 5t1s by Molmil
Irak4 kinase - compound 1 co-structure
Descriptor: 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4
Authors:Fischmann, T.O.
Deposit date:2016-08-22
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
7NAA
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BU of 7naa by Molmil
Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain
Descriptor: (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase
Authors:Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC)
Deposit date:2021-06-21
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021

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