4V0S
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![BU of 4v0s by Molmil](/molmil-images/mine/4v0s) | Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative | Descriptor: | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2014-09-18 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published
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5WRF
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![BU of 5wrf by Molmil](/molmil-images/mine/5wrf) | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase | Authors: | Iqbal, N, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-12-01 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Crystal structure of dodecameric type II dehydroquinate dehydratase from Acinetobacter baumannii with unexplained connecting electron density between free cysteine residues of molecular pairs To Be Published
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3LWZ
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![BU of 3lwz by Molmil](/molmil-images/mine/3lwz) | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate dehydratase, BETA-MERCAPTOETHANOL, ... | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-24 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 1.65 Angstrom Resolution Crystal Structure of Type II 3-Dehydroquinate Dehydratase (aroQ) from Yersinia pestis. TO BE PUBLISHED
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1J2Y
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![BU of 1j2y by Molmil](/molmil-images/mine/1j2y) | Crystal structure of the type II 3-dehydroquinase | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase | Authors: | Lee, B.I, Kwak, J.E, Suh, S.W. | Deposit date: | 2003-01-15 | Release date: | 2003-06-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the type II 3-dehydroquinase from Helicobacter pylori Proteins, 51, 2003
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5B6P
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![BU of 5b6p by Molmil](/molmil-images/mine/5b6p) | Structure of the dodecameric type-II dehydrogenate dehydratase from Acinetobacter baumannii at 2.00 A resolution | Descriptor: | 3-dehydroquinate dehydratase, SULFATE ION | Authors: | Kumar, M, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-05-31 | Release date: | 2016-09-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding studies and structure determination of the recombinantly produced type-II 3-dehydroquinate dehydratase from Acinetobacter baumannii. Int. J. Biol. Macromol., 94, 2017
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6SMF
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![BU of 6smf by Molmil](/molmil-images/mine/6smf) | |
3KIP
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![BU of 3kip by Molmil](/molmil-images/mine/3kip) | Crystal structure of type-II 3-dehydroquinase from C. albicans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinase, type II, ... | Authors: | Trapani, S, Schoehn, G, Navaza, J, Abergel, C. | Deposit date: | 2009-11-02 | Release date: | 2010-05-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Macromolecular crystal data phased by negative-stained electron-microscopy reconstructions. Acta Crystallogr.,Sect.D, 66, 2010
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6CV6
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![BU of 6cv6 by Molmil](/molmil-images/mine/6cv6) | |
4ZC1
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![BU of 4zc1 by Molmil](/molmil-images/mine/4zc1) | |
3U80
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![BU of 3u80 by Molmil](/molmil-images/mine/3u80) | 1.60 Angstrom Resolution Crystal Structure of a 3-Dehydroquinate Dehydratase-like Protein from Bifidobacterium longum | Descriptor: | 3-dehydroquinate dehydratase, type II | Authors: | Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-10-14 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a type II dehydroquinate dehydratase-like protein from Bifidobacterium longum. J.Struct.Funct.Genom., 14, 2013
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1D0I
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![BU of 1d0i by Molmil](/molmil-images/mine/1d0i) | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, TYPE II 3-DEHYDROQUINATE HYDRATASE | Authors: | Roszak, A.W, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 1999-09-10 | Release date: | 2000-09-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure and mechanism of the type II dehydroquinase from Streptomyces coelicolor. Structure, 10, 2002
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4B6O
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![BU of 4b6o by Molmil](/molmil-images/mine/4b6o) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid | Descriptor: | (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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8IDU
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![BU of 8idu by Molmil](/molmil-images/mine/8idu) | Crystal structure of substrate bound-form dehydroquinate dehydratase from Corynebacterium glutamicum | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL, ... | Authors: | Lee, C.H, Kim, S, Kim, K.-J. | Deposit date: | 2023-02-14 | Release date: | 2023-12-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Analysis of 3-Dehydroquinate Dehydratase from Corynebacterium glutamicum . J Microbiol Biotechnol., 33, 2023
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8IDR
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![BU of 8idr by Molmil](/molmil-images/mine/8idr) | |
4L8L
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![BU of 4l8l by Molmil](/molmil-images/mine/4l8l) | |
4RC9
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![BU of 4rc9 by Molmil](/molmil-images/mine/4rc9) | Crystal Structure of the type II Dehydroquinate dehydratase from Acinetobacter baumannii at 2.03A Resolution | Descriptor: | 3-dehydroquinate dehydratase, SULFATE ION | Authors: | Iqbal, N, Kumar, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-09-15 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of the type II Dehydroquinate dehydratase from Acinetobacter baumannii at 2.03 A Resolution To be Published
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4RHC
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![BU of 4rhc by Molmil](/molmil-images/mine/4rhc) | |
4KIU
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![BU of 4kiu by Molmil](/molmil-images/mine/4kiu) | Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-02 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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1UQR
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![BU of 1uqr by Molmil](/molmil-images/mine/1uqr) | Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus pleuropneumoniae | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Maes, D, Gonzalez-Ramirez, L.A, Lopez-Jaramillo, J, Yu, B, De Bondt, H, Zegers, I, Afonina, E, Garcia-Ruiz, J.M, Gulnik, S. | Deposit date: | 2003-10-16 | Release date: | 2003-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Study of the Type II 3-Dehydroquinate Dehydratase from Actinobacillus Pleuropneumoniae Acta Crystallogr.,Sect.D, 60, 2004
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1V1J
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![BU of 1v1j by Molmil](/molmil-images/mine/1v1j) | Crystal structure of type II Dehydroquintae Dehydratase from Streptomyces coelicolor in complex with 3-fluoro | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ANHYDRO-3-FLUORO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE | Authors: | Roszak, A.W, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 2004-04-16 | Release date: | 2005-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | (1R,4S,5R)-3-Fluoro-1,4,5-Trihydroxy-2-Cyclohexene-1-Carboxylic Acid: The Fluoro Analogue of the Enolate Intermediate in the Reaction Catalyzed by Type II Dehydroquinases Org.Biomol.Chem., 2, 2004
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4KIJ
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![BU of 4kij by Molmil](/molmil-images/mine/4kij) | Design and structural analysis of aromatic inhibitors of type II dehydroquinase dehydratase from Mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid] | Descriptor: | 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-02 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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4KI7
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![BU of 4ki7 by Molmil](/molmil-images/mine/4ki7) | Design and structural analysis of aromatic inhibitors of type II dehydroquinase from Mycobacterium tuberculosis - compound 41c [3-hydroxy-5-(3-nitrophenoxy)benzoic acid] | Descriptor: | 3-dehydroquinate dehydratase, 3-hydroxy-5-(3-nitrophenoxy)benzoic acid | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-01 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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4KIW
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![BU of 4kiw by Molmil](/molmil-images/mine/4kiw) | Design and structural analysis of aromatic inhibitors of type II dehydroquinate dehydratase from Mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] | Descriptor: | 3-dehydroquinate dehydratase, 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid | Authors: | Dias, M.V.B, Howard, N.G, Blundell, T.L, Abell, C. | Deposit date: | 2013-05-02 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Design and Structural Analysis of Aromatic Inhibitors of Type II Dehydroquinase from Mycobacterium tuberculosis. Chemmedchem, 10, 2015
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2Y76
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![BU of 2y76 by Molmil](/molmil-images/mine/2y76) | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate | Descriptor: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2011-01-28 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J. Med. Chem., 54, 2011
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2Y77
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![BU of 2y77 by Molmil](/molmil-images/mine/2y77) | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | Descriptor: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2011-01-28 | Release date: | 2011-08-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors. J. Med. Chem., 54, 2011
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