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6N3Z
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BU of 6n3z by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4
分子名称: Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
著者de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-16
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6N3K
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BU of 6n3k by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1
分子名称: Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
著者de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-15
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6VPD
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BU of 6vpd by Molmil
Crystal structure of Trgpx in apo form
分子名称: Glutathione peroxidase
著者Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S.
登録日2020-02-03
公開日2020-12-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei.
Int.J.Biol.Macromol., 167, 2020
6N5F
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BU of 6n5f by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3
分子名称: Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6N5G
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BU of 6n5g by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2
分子名称: 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH
著者Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
登録日2018-11-21
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
5URO
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BU of 5uro by Molmil
Structure of a soluble epoxide hydrolase identified in Trichoderma reesei
分子名称: 2,2'-oxydi(ethyn-1-ol), Predicted protein
著者Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B.
登録日2017-02-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structure of a soluble epoxide hydrolase identified in Trichoderma reesei.
Biochim. Biophys. Acta, 1865, 2017
6UNW
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BU of 6unw by Molmil
Epoxide hydrolase from an endophytic Streptomyces
分子名称: CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase
著者Wilson, C, dos Santos, J.C, Dias, M.V.B.
登録日2019-10-13
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity.
Acta Crystallogr D Struct Biol, 76, 2020
6NNI
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BU of 6nni by Molmil
Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6NNE
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BU of 6nne by Molmil
Crystal structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with diaverdine
分子名称: 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6NNC
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BU of 6nnc by Molmil
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6VS9
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BU of 6vs9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
分子名称: 3-[(piperidin-1-yl)methyl]benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VV7
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BU of 6vv7 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136
分子名称: 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VSD
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BU of 6vsd by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-((thiophen-2-ylthio)methyl)benzoic acid (fragment 13)
分子名称: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VSG
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BU of 6vsg by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17)
分子名称: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VV9
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BU of 6vv9 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300
分子名称: 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VV8
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BU of 6vv8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285
分子名称: 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.683 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VS5
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BU of 6vs5 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VVB
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BU of 6vvb by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10)
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ...
著者Tyrakis, P, Dias, M.V.B.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VSE
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BU of 6vse by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(phenoxymethyl)benzoic acid(fragment 14)
分子名称: 3-(phenoxymethyl)benzoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VS8
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BU of 6vs8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3)
分子名称: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.829 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VS6
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BU of 6vs6 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
分子名称: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-10
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VV6
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BU of 6vv6 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113
分子名称: 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M.
登録日2020-02-17
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VSF
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BU of 6vsf by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16)
分子名称: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Dias, M.V.B.
登録日2020-02-11
公開日2020-07-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6NNH
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BU of 6nnh by Molmil
Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil
分子名称: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
著者Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B.
登録日2019-01-15
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6NND
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BU of 6nnd by Molmil
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate
分子名称: COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ...
著者Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
登録日2019-01-14
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019

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