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5SCY
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BU of 5scy by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198
Descriptor: 1,2-ETHANEDIOL, 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1198
to be published
5SD0
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BU of 5sd0 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1225
to be published
5SCS
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BU of 5scs by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-781
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-781
to be published
5SCZ
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BU of 5scz by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1224
Descriptor: (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1224
to be published
5SCT
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BU of 5sct by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-783
Descriptor: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-783
to be published
5SD3
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BU of 5sd3 by Molmil
Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1088
Descriptor: 1,2-ETHANEDIOL, 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to NADP and SDDC Inhibitor SDDC-1088
to be published
5SD8
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BU of 5sd8 by Molmil
Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
Descriptor: (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-12-20
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Dihydrofolate Reductase from Homo sapiens bound to NADP and SDDC Inhibitor SDDC-1190 (racemic mixture)
to be published
5U27
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BU of 5u27 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor
TO BE PUBLISHED
5U26
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BU of 5u26 by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-11-29
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p218 Inhibitor
TO BE PUBLISHED
5UII
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BU of 5uii by Molmil
structure of DHFR with bound buformin and NADP
Descriptor: CALCIUM ION, Dihydrofolate reductase, N-butyl-N'-(diaminomethylidene)guanidine, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2018-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.351 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5UJX
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BU of 5ujx by Molmil
Crystal structure of DHFR in 20% Isopropanol
Descriptor: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cuneo, M.J, Agarwal, P.K.
Deposit date:2017-01-19
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5UJF
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BU of 5ujf by Molmil
Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-01-17
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound p218 Inhibitor
TO BE PUBLISHED
5UIP
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BU of 5uip by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
Descriptor: Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5UIO
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BU of 5uio by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
Descriptor: BETA-MERCAPTOETHANOL, Dihydrofolate reductase, FORMIC ACID, ...
Authors:Pedersen, L.C, London, R.E.
Deposit date:2017-01-14
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.929 Å)
Cite:A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
Descriptor: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
Authors:Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
Deposit date:2021-06-16
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
7FPL
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BU of 7fpl by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 1)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-09
Release date:2023-09-20
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7K62
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BU of 7k62 by Molmil
Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-18
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Dihydrofolate reductase from Mycobacterium kansasii in complex with NADP and inhibitor P218
To Be Published
7K69
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BU of 7k69 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
Descriptor: 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001574
To Be Published
7K6A
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BU of 7k6a by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001575
Descriptor: 1,2-ETHANEDIOL, 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001575
to be published
7K68
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BU of 7k68 by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565
Descriptor: 3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium ulcerans Agy99 in complex with NADP and inhibitor SDDC-0001565
To Be Published
7K6C
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BU of 7k6c by Molmil
Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218
Descriptor: 1,2-ETHANEDIOL, 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-19
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Dihydrofolate reductase (DHFR) from Mycobacterium abscessus ATCC 19977 / DSM 44196 with NADP and inhibitor P218
to be published
7FQ2
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BU of 7fq2 by Molmil
DHFR:NADP+:FOL complex at 300 K (multi-crystal)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-10
Release date:2023-09-20
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPM
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BU of 7fpm by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 2)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-09
Release date:2023-09-20
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FQ5
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BU of 7fq5 by Molmil
DHFR:NADP+:FOL complex at 310 K (crystal 3)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-12
Release date:2023-09-20
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024
7FPO
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BU of 7fpo by Molmil
DHFR:NADP+:FOL complex at 280 K (crystal 4)
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Greisman, J.B, Dalton, K.M, Brookner, D.E, Hekstra, D.R.
Deposit date:2022-09-09
Release date:2023-09-20
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Perturbative diffraction methods resolve a conformational switch that facilitates a two-step enzymatic mechanism.
Proc.Natl.Acad.Sci.USA, 121, 2024

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数据于2024-07-24公开中

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