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PDB: 77 results
5JG0
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BU of 5jg0 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191
Descriptor: 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Reeve, S.M.
Deposit date:2016-04-19
Release date:2017-04-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.
Cell Chem Biol, 23, 2016
3JW3
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BU of 3jw3 by Molmil
Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWM
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BU of 3jwm by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
Descriptor: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
1QBP
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BU of 1qbp by Molmil
CRYSTAL STRUCTURE OF A BROMINATED RNA HELIX WITH FOUR MISMATCHED BASE PAIRS
Descriptor: 5'-R(*UP*GP*(CBV)P*(CBV)P*AP*GP*UP*UP*CP*GP*CP*UP*GP*GP*C)-3'
Authors:Anderson, A.C, O'Neil, R.H, Filman, D.J, Frederick, C.A.
Deposit date:1999-04-26
Release date:1999-11-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a brominated RNA helix with four mismatched base pairs: An investigation into RNA conformational variability.
Biochemistry, 38, 1999
3JWC
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BU of 3jwc by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
Descriptor: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3JWK
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BU of 3jwk by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (S)-2,4-diamino-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP114A)
Descriptor: 5-[(3S)-3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
3JVX
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BU of 3jvx by Molmil
Crystal structure of Bacillus anthracis dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-(3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120A)
Descriptor: 6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JW5
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BU of 3jw5 by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and Trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-17
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Mutational Studies into Trimethoprim Resistance in Bacillus anthracis Dihydrofolate Reductase
To be Published
3JWF
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BU of 3jwf by Molmil
Crystal structure of Bacillus anthracis (Y102F) dihydrofolate reductase complexed with NADPH and (R)-2,4-diamino-5-(3-hydroxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine (UCP113A)
Descriptor: (1R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Karri, N.G.
Deposit date:2009-09-18
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Targeted Mutations in Bacillus anthracis Dihydrofolate Reductase Condense Complex Structure-Activity Relationships
J.Med.Chem., 2010
6PCZ
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BU of 6pcz by Molmil
Crystal structure of the bacterial cellulose synthase subunit G (BcsG) catalytic domain from Escherichia coli, selenomethionine variant
Descriptor: Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION
Authors:Anderson, A.C, Brenner, T, Weadge, J.T.
Deposit date:2019-06-18
Release date:2020-03-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
6PD0
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BU of 6pd0 by Molmil
Crystal structure of the bacterial cellulose synthase subunit G (BcsG) from Escherichia coli, catalytic domain
Descriptor: Cellulose biosynthesis protein BcsG, MAGNESIUM ION, ZINC ION
Authors:Anderson, A.C, Brenner, T, Weadge, J.T.
Deposit date:2019-06-18
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:TheEscherichia colicellulose synthase subunit G (BcsG) is a Zn2+-dependent phosphoethanolamine transferase.
J.Biol.Chem., 295, 2020
1CI7
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BU of 1ci7 by Molmil
TERNARY COMPLEX OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PROTEIN (THYMIDYLATE SYNTHASE)
Authors:Anderson, A.C, O'Neil, R.H, Delano, W.L, Stroud, R.M.
Deposit date:1999-04-08
Release date:2000-04-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structural mechanism for half-the-sites reactivity in an enzyme, thymidylate synthase, involves a relay of changes between subunits.
Biochemistry, 38, 1999
1SEJ
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BU of 1sej by Molmil
Crystal Structure of Dihydrofolate Reductase-Thymidylate Synthase from Cryptosporidium hominis Bound to 1843U89/NADPH/dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, ...
Authors:Anderson, A.C.
Deposit date:2004-02-17
Release date:2004-05-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Two crystal structures of dihydrofolate reductase-thymidylate synthase from Cryptosporidium hominis reveal protein-ligand interactions including a structural basis for observed antifolate resistance.
Acta Crystallogr.,Sect.F, 61, 2005
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
Descriptor: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
5HF0
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BU of 5hf0 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
Authors:Anderson, A.C, Reeve, S.M.
Deposit date:2016-01-06
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1106)
To Be Published
5IST
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BU of 5ist by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Anderson, A.C, Reeve, S.M.
Deposit date:2016-03-15
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5ISQ
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BU of 5isq by Molmil
Staphylococcus aureus H30N, F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
Authors:Anderson, A.C, Reeve, S.M.
Deposit date:2016-03-15
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
5ISP
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BU of 5isp by Molmil
Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ...
Authors:Anderson, A.C, Reeve, S.M.
Deposit date:2016-03-15
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.
J. Med. Chem., 59, 2016
1F28
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BU of 1f28 by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE
Authors:Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M.
Deposit date:2000-05-23
Release date:2001-06-06
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
Chem.Biol., 8, 2001
3F0X
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BU of 3f0x by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2008-10-27
Release date:2009-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
To be Published
3F0S
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BU of 3f0s by Molmil
Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2008-10-25
Release date:2009-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
To be Published
3F0Q
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BU of 3f0q by Molmil
Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2008-10-25
Release date:2009-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Predicting resistance mutations using protein design algorithms.
Proc.Natl.Acad.Sci.USA, 107, 2010
3F0V
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BU of 3f0v by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2008-10-26
Release date:2009-10-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
To be Published
3F0U
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BU of 3f0u by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-phenylphenyl)but-1-ynyl]-6-methylpyrimidine
Descriptor: 5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2008-10-26
Release date:2009-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
3E0B
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BU of 3e0b by Molmil
Bacillus anthracis Dihydrofolate Reductase complexed with NADPH and 2,4-diamino-5-(3-(2,5-dimethoxyphenyl)prop-1-ynyl)-6-ethylpyrimidine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M, Frey, K.M.
Deposit date:2008-07-31
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synthetic and Crystallographic Studies of a New Inhibitor Series Targeting Bacillus anthracis Dihydrofolate Reductase
J.Med.Chem., 51, 2008

 

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