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3C02
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BU of 3c02 by Molmil
X-ray structure of the aquaglyceroporin from Plasmodium falciparum
Descriptor: Aquaglyceroporin, GLYCEROL, octyl beta-D-glucopyranoside
Authors:Newby, Z.E, Stroud, R.M, Center for Structures of Membrane Proteins (CSMP)
Deposit date:2008-01-18
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the aquaglyceroporin PfAQP from the malarial parasite Plasmodium falciparum.
Nat.Struct.Mol.Biol., 15, 2008
5TOB
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BU of 5tob by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
Descriptor: N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Protein-tyrosine kinase 2-beta
Authors:Newby, Z.E.
Deposit date:2016-10-17
Release date:2017-11-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
5TO8
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BU of 5to8 by Molmil
Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency
Descriptor: 25-(methylsulfonyl)-8-(trifluoromethyl)-5,17,18,21,22,23,24,25-octahydro-12H-7,11-(azeno)-16,13-(metheno)pyrido[3,2-i]pyrrolo[1,2-q][1,3,7,11,17]pentaazacyclohenicosin-20(6H)-one, Protein-tyrosine kinase 2-beta
Authors:Newby, Z.E.
Deposit date:2016-10-17
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9849 Å)
Cite:Selectivity switch between FAK and Pyk2: Macrocyclization of FAK inhibitors improves Pyk2 potency.
Bioorg. Med. Chem. Lett., 26, 2016
6US2
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BU of 6us2 by Molmil
MTH1 in complex with compound 5
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.80012655 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US4
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BU of 6us4 by Molmil
MTH1 in complex with compound 32
Descriptor: 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95032907 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020
6US3
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BU of 6us3 by Molmil
MTH1 in complex with compound 4
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
Authors:Newby, Z.E.R, Lansdon, E.B.
Deposit date:2019-10-24
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.47028923 Å)
Cite:Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation.
Acs Med.Chem.Lett., 11, 2020

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