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6PRA
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BU of 6pra by Molmil
S. aureus dihydrofolate reductase with NADP(H) and empty folate pocket
Descriptor: Dihydrofolate reductase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bourne, C.R, Thomas, L.M.
Deposit date:2019-07-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Inhibitor design to target a unique feature in the folate pocket of Staphylococcus aureus dihydrofolate reductase.
Eur.J.Med.Chem., 200, 2020
4FGH
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BU of 4fgh by Molmil
S. aureus dihydrofolate reductase co-crystallized with ethyl-DAP isobutenyl-dihydrophthalazine inhibitor
Descriptor: (2E)-3-{5-[(2,4-diamino-6-ethylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2012-06-04
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
4FGG
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BU of 4fgg by Molmil
S. aureus dihydrofolate reductase co-crystallized with propyl-DAP isobutenyl-dihydrophthalazine inhibitor
Descriptor: (2E)-3-{5-[(2,4-diamino-6-propylpyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-yl]prop-2-en-1-one, Dihydrofolate reductase, GLYCEROL, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2012-06-04
Release date:2013-01-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibition of Bacterial Dihydrofolate Reductase by 6-Alkyl-2,4-diaminopyrimidines.
Chemmedchem, 7, 2012
6XRW
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BU of 6xrw by Molmil
Chromosomal ParDE TA system from P. aeruginosa
Descriptor: BENZAMIDINE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Bourne, C.R, Snead, K.J, Thomas, L.M.
Deposit date:2020-07-13
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:ParD Antitoxin Hotspot Alters a Disorder-to-Order Transition upon Binding to Its Cognate ParE Toxin, Lessening Its Interaction Affinity and Increasing Its Protease Degradation Kinetics.
Biochemistry, 61, 2022
2AGJ
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BU of 2agj by Molmil
Crystal Structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Yvo Fab, Heavy Chain, ...
Authors:Ramsland, P.A, Terzyan, S.S, Cloud, G, Bourne, C.R, Farrugia, W, Tribbick, G, Geysen, H.M, Moomaw, C.R, Slaughter, C.A, Edmundson, A.B.
Deposit date:2005-07-27
Release date:2006-05-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a glycosylated Fab from an IgM cryoglobulin with properties of a natural proteolytic antibody
Biochem.J., 395, 2006
7LNU
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BU of 7lnu by Molmil
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNT
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BU of 7lnt by Molmil
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to benzyl monophosphate and ATP
Descriptor: (phenylmethyl) dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNV
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BU of 7lnv by Molmil
Apo Structure of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus
Descriptor: GLYCEROL, Isopentenyl phosphate kinase, MALONATE ION
Authors:Thomas, L.M, Singh, S, Scull, E.M, Bourne, C.R.
Deposit date:2021-02-08
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNW
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BU of 7lnw by Molmil
I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase, [(~{Z})-5-[(azanylidene-$l^{4}-azanylidene)amino]-3-methyl-pent-2-enyl] dihydrogen phosphate
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7LNX
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BU of 7lnx by Molmil
I146A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-methylhept-2-en-1-yl dihydrogen phosphate, (2Z)-3-methylhept-2-en-1-yl trihydrogen diphosphate, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-02-08
Release date:2021-12-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
7N9D
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BU of 7n9d by Molmil
I74A mutant of the isopentenyl phosphate kinase from Candidatus methanomethylophilus alvus
Descriptor: (2E)-3-phenylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Thomas, L.M, Singh, S, Johnson, B.P.
Deposit date:2021-06-17
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Basis for the Substrate Promiscuity of Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus .
Acs Chem.Biol., 17, 2022
3KXS
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BU of 3kxs by Molmil
Crystal structure of HBV capsid mutant dimer (oxy form), strain adyw
Descriptor: Capsid protein
Authors:Packianathan, C, Katen, S.P, Zlotnick, A.
Deposit date:2009-12-03
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Conformational changes in the hepatitis B virus core protein are consistent with a role for allostery in virus assembly
J.Virol., 84, 2010
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