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6DDS
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BU of 6dds by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ...
Authors:Hajian, B, Wright, D, Scocchera, E.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DE4
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BU of 6de4 by Molmil
Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
Descriptor: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-11
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DDW
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BU of 6ddw by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid
Descriptor: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ...
Authors:Hajian, B, Scocchera, E, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DDP
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BU of 6ddp by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
Descriptor: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DE5
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BU of 6de5 by Molmil
Mycobacterium tuberculosis Rv2671 complexed with beta-NADPH and 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, riboflavin biosynthesis protein RibD
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-11
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6FAP
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BU of 6fap by Molmil
Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2017-12-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FKP
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BU of 6fkp by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide
Descriptor: ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-24
Release date:2018-03-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FI0
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BU of 6fi0 by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19
Descriptor: 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FI1
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BU of 6fi1 by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23
Descriptor: Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FHU
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BU of 6fhu by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide
Descriptor: ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6FHQ
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BU of 6fhq by Molmil
Crystal structure of human BAZ2B PHD zinc finger in complex with Fr 21
Descriptor: 2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-15
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
7R6G
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BU of 7r6g by Molmil
Crystal structure of DfrA5 dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH
Descriptor: Dihydrofolate reductase type 5, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
6NPF
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BU of 6npf by Molmil
Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
Descriptor: Enolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D.
Deposit date:2019-01-17
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
6I9I
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BU of 6i9i by Molmil
Rift valley fever virus Gn in complex with a neutralizing antibody fragment
Descriptor: Glycoprotein, RV-Gn1 Heavy chain, RV-Gn1 Light chain
Authors:Allen, E.R, Bowden, T.A.
Deposit date:2018-11-23
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Protective Monoclonal Antibody Targets a Site of Vulnerability on the Surface of Rift Valley Fever Virus.
Cell Rep, 25, 2018
7MYL
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BU of 7myl by Molmil
Crystal structure of DfrA1 dihydrofolate reductase in complex with TRIMETHOPRIM
Descriptor: Dihydrofolate reductase, TRIMETHOPRIM
Authors:Erlandsen, H, Wright, D.
Deposit date:2021-05-21
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7MYM
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BU of 7mym by Molmil
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM and NADPH
Descriptor: ARGININE, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2021-05-21
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7NAE
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BU of 7nae by Molmil
Crystal structure of Escherichia coli dihydrofolate reductase in complex with TRIMETHOPRIM
Descriptor: Dihydrofolate reductase, SULFATE ION, TRIMETHOPRIM
Authors:Estrada, A, Wright, D, Krucinska, J, Erlandsen, H.
Deposit date:2021-06-21
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
5LCJ
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BU of 5lcj by Molmil
In-Gel Activity-Based Protein Profiling of a Clickable Covalent Erk 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[5-chloranyl-4-[[2-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2016-08-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
5LCK
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BU of 5lck by Molmil
A Clickable Covalent ERK 1/2 Inhibitor
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-[2-[[2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide
Authors:O'Reilly, M, Wright, D.
Deposit date:2016-06-22
Release date:2016-07-20
Last modified:2018-03-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:In-gel activity-based protein profiling of a clickable covalent ERK1/2 inhibitor.
Mol Biosyst, 12, 2016
6BFZ
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BU of 6bfz by Molmil
Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6BFY
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BU of 6bfy by Molmil
Crystal structure of enolase from Escherichia coli with bound 2-phosphoglycerate substrate
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase, GLYCEROL, ...
Authors:Erlandsen, H, Wright, D, Krucinska, J.
Deposit date:2017-10-27
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
6D3Q
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BU of 6d3q by Molmil
Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.
Descriptor: Enolase, GLYCEROL, MAGNESIUM ION, ...
Authors:Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D.
Deposit date:2018-04-16
Release date:2019-11-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019

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