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1ZTB
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BU of 1ztb by Molmil
Crystal Structure of Chorismate Synthase from Mycobacterium tuberculosis
Descriptor: Chorismate synthase
Authors:Dias, M.V.B, Borges, J.C, Ely, F, Pereira, J.H, Canduri, F, Ramos, C.H.I, Frazzon, J, Palma, M.S, Basso, L.A, Santos, D.S, Azevedo Jr, W.F.
Deposit date:2005-05-26
Release date:2006-05-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of chorismate synthase from Mycobacterium tuberculosis
J.Struct.Biol., 154, 2006
2G85
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BU of 2g85 by Molmil
Crystal structure of chorismate synthase from Mycobacterium tuberculosis at 2.22 angstrons of resolution
Descriptor: Chorismate synthase
Authors:Dias, M.V.B, dos Santos, B.B, Ely, F, Basso, L.A, Santos, D.S, de Azevedo Jr, W.F.
Deposit date:2006-03-01
Release date:2007-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal structure of chorismate synthase from Mycobacterium tuberculosis at 2.22 angstron of resolution
To be Published
3H4T
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BU of 3h4t by Molmil
Chimeric Glycosyltransferase for the generation of novel natural products - GtfAH1 in complex with UDP-2F-Glc
Descriptor: Glycosyltransferase GtfA, Glycosyltransferase, PHOSPHATE ION, ...
Authors:Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
Deposit date:2009-04-20
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
3H4I
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BU of 3h4i by Molmil
Chimeric Glycosyltransferase for the generation of novel natural products
Descriptor: Glycosyltransferase GtfA, Glycosyltransferase, SULFATE ION, ...
Authors:Dias, M.V.B, Truman, A.W, Wu, S, Blundell, T.L, Huang, F, Spencer, J.B.
Deposit date:2009-04-20
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Chimeric glycosyltransferases for the generation of hybrid glycopeptides
Chem.Biol., 16, 2009
3BAF
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BU of 3baf by Molmil
Crystal structure of shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Shikimate kinase
Authors:Faim, L.M, Dias, M.V.B, Vasconcelos, I.G, Basso, L.A, Santos, D.S, Azevedo, W.F, Ruggiero, N.J.
Deposit date:2007-11-07
Release date:2008-11-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure for shikimate kinase from Mycobacterium tuberculosis in complex with AMP-PNP
To be Published
1PF7
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BU of 1pf7 by Molmil
CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH IMMUCILLIN H
Descriptor: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:De Azevedo Jr, W.F, Canduri, F, Dos Santos, D.M, Pereira, J.H, Dias, M.V.B, Silva, R.G, Mendes, M.A, Palma, M.S, Basso, L.A, Santos, D.S.
Deposit date:2003-05-24
Release date:2004-06-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for inhibition of human PNP by immucillin-H
Biochem.Biophys.Res.Commun., 309, 2003
8G6P
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BU of 8g6p by Molmil
Crystal structure of Mycobacterium thermoresistibile MurE in complex with ADP and 2,6-Diaminopimelic acid
Descriptor: 2,6-DIAMINOPIMELIC ACID, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Rossini, N.O, Silva, C.S, Dias, M.V.B.
Deposit date:2023-02-15
Release date:2023-04-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The crystal structure of Mycobacterium thermoresistibile MurE ligase reveals the binding mode of the substrate m-diaminopimelate.
J.Struct.Biol., 215, 2023
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)
Descriptor: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.853 Å)
Cite: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
Descriptor: 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M.
Deposit date:2020-02-17
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.235 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6WUQ
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BU of 6wuq by Molmil
Crystal structure of AjiA1 in apo form
Descriptor: AjiA1, MAGNESIUM ION, ZINC ION
Authors:Paiva, F.C.R, Chan, K, Leadlay, P, Dias, M.V.B.
Deposit date:2020-05-05
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:The crystal structure of AjiA1 reveals a novel structural motion mechanism in the adenylate-forming enzyme family
Acta Crystallogr.,Sect.D, 76, 2020
9B0C
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BU of 9b0c by Molmil
Crystal structure of GenB2 in complex with gentamicin X2.
Descriptor: (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 6'-epimerase, ...
Authors:Bury, P.S, Araujo, N.C, Oliveira, G.S, Dias, M.V.B.
Deposit date:2024-03-11
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and Functional Basis of GenB2 Isomerase Activity from Gentamicin Biosynthesis.
Acs Chem.Biol., 2024
9AUE
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BU of 9aue by Molmil
Crystal structure of the holo form of GenB2 in complex with PMP
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 6'-epimerase, C-6' aminotransferase, ...
Authors:Oliveira, G.S, Bury, P.S, Huang, F, Li, Y, Araujo, N.C, Zhou, J, Sun, Y, Leeper, F, Leadlay, P, Dias, M.V.B.
Deposit date:2024-02-29
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural and Functional Basis of GenB2 Isomerase Activity from Gentamicin Biosynthesis.
Acs Chem.Biol., 2024
9AU3
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BU of 9au3 by Molmil
Crystal structure of GenB2 in complex with G418
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 6'-epimerase, C-6' aminotransferase, ...
Authors:De Oliveira, G.S, Bury, P.S, Huang, F, Li, Y, Araujo, N.C, Zhou, J, Sun, Y, Leeper, F, Leadlay, P, Dias, M.V.B.
Deposit date:2024-02-28
Release date:2024-09-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and Functional Basis of GenB2 Isomerase Activity from Gentamicin Biosynthesis.
Acs Chem.Biol., 2024
7SFP
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BU of 7sfp by Molmil
Crystal structure of OssO, a spirocyclase involved in the biosynthesis of ossamycin
Descriptor: Spirocyclase
Authors:Bilyk, O, Leadlay, P.F, Dias, M.V.B.
Deposit date:2021-10-04
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis.
J.Am.Chem.Soc., 144, 2022
7SFN
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BU of 7sfn by Molmil
Crystal structure of OlmO, a spirocyclase involved in the biosynthesis of oligomycin
Descriptor: D-MALATE, OlmO - oligomycin spirocyclase
Authors:Bilyk, O, Leadlay, P.F, Dias, M.V.B.
Deposit date:2021-10-04
Release date:2022-08-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis.
J.Am.Chem.Soc., 144, 2022
6UI5
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BU of 6ui5 by Molmil
Tmn9 in complex with cofactor FAD
Descriptor: 2-polyprenyl-6-methoxyphenol hydroxylase-like FAD-dependent oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B.
Deposit date:2019-09-30
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tmn9 in complex with cofactor FAD
To Be Published
6UNW
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BU of 6unw by Molmil
Epoxide hydrolase from an endophytic Streptomyces
Descriptor: CACODYLATE ION, CHLORIDE ION, Soluble epoxide hydrolase
Authors:Wilson, C, dos Santos, J.C, Dias, M.V.B.
Deposit date:2019-10-13
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity.
Acta Crystallogr D Struct Biol, 76, 2020
8A0Z
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BU of 8a0z by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of candida auris
To Be Published
7ZZX
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BU of 7zzx by Molmil
Crystal structure of Candida auris DHFR in apo form
Descriptor: Dihydrofolate reductase
Authors:Kirkman, T.J, Dias, M.V.B.
Deposit date:2022-05-26
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
8A0N
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BU of 8a0n by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH
Descriptor: 1,2-ETHANEDIOL, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-29
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of candida auris dihydrofolate reductase
To Be Published
6D4K
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BU of 6d4k by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis at 1.32 A resolution
Descriptor: CALCIUM ION, Probable L,D-transpeptidase 3
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2018-04-18
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
6D51
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BU of 6d51 by Molmil
Crystal structure of L,D-transpeptidase 3 from Mycobacterium tuberculosis in complex with a faropenem-derived adduct
Descriptor: ACETYL GROUP, CALCIUM ION, Probable L,D-transpeptidase 3
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2018-04-19
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Basis for the Interaction and Processing of beta-Lactam Antibiotics by l,d-Transpeptidase 3 (LdtMt3) from Mycobacterium tuberculosis.
ACS Infect Dis, 5, 2019
7KEM
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BU of 7kem by Molmil
Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis
Descriptor: 6-CARBOXYLYSINE, D-GLUTAMIC ACID, Di-mu-iodobis(ethylenediamine)diplatinum(II), ...
Authors:Libreros, G.A, Dias, M.V.B.
Deposit date:2020-10-11
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystallographic structure of L,D-transpeptidase 2 from Mycobacterium tuberculosis.
To Be Published
7LLE
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BU of 7lle by Molmil
Crystal structure of GenB4 in complex with PLP
Descriptor: C-6' aminotransferase, PYRIDOXAL-5'-PHOSPHATE
Authors:Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B.
Deposit date:2021-02-03
Release date:2021-09-22
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin
Acs Catalysis, 2021
7LM0
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BU of 7lm0 by Molmil
Crystal structure of GenB3 in complex with PLP
Descriptor: C-6' aminotransferase, DI(HYDROXYETHYL)ETHER, PYRIDOXAL-5'-PHOSPHATE
Authors:Bury, P.S, Huang, F, Leadlay, P.F, Dias, M.V.B.
Deposit date:2021-02-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin
Acs Catalysis, 2021

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PDB entries from 2024-09-18

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