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2WUF
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BU of 2wuf by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA
Descriptor: (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ...
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
2WUD
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BU of 2wud by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis
Descriptor: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, THIOCYANATE ION
Authors:Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
5AEW
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BU of 5aew by Molmil
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl
Descriptor: BIPHENYL, BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, ...
Authors:Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P.
Deposit date:2015-01-10
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase.
J.Bacteriol., 198, 2016
5AEU
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BU of 5aeu by Molmil
Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400
Descriptor: BIPHENYL DIOXYGENASE SUBUNIT ALPHA, BIPHENYL DIOXYGENASE SUBUNIT BETA, FE (II) ION, ...
Authors:Dhindwal, S, Gomez-Gil, L, Sylvestre, M, Eltis, L.D, Bolin, J.T, Kumar, P.
Deposit date:2015-01-10
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural Basis of the Enhanced Pollutant-Degrading Capabilities of an Engineered Biphenyl Dioxygenase
J.Bacteriol., 198, 2016
2A5K
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BU of 2a5k by Molmil
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121
Descriptor: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
Deposit date:2005-06-30
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
2A5A
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BU of 2a5a by Molmil
Crystal structure of unbound SARS coronavirus main peptidase in the space group C2
Descriptor: 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
Deposit date:2005-06-30
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
4HOV
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BU of 4hov by Molmil
DypB N246A in complex with manganese
Descriptor: CHLORIDE ION, DypB, FORMIC ACID, ...
Authors:Grigg, J.C, Singh, R, Eltis, L.D, Murphy, M.E.P.
Deposit date:2012-10-22
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium.
Acs Chem.Biol., 8, 2013
2A5I
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BU of 2a5i by Molmil
Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2
Descriptor: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 1,2-ETHANEDIOL, 3C-like peptidase, ...
Authors:Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
Deposit date:2005-06-30
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
3QNS
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BU of 3qns by Molmil
DyPB from Rhodococcus jostii RHA1, crystal form 2
Descriptor: DyP Peroxidase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Grigg, J.C, Roberts, J.N, Singh, R, Eltis, L.D, Murphy, M.E.P.
Deposit date:2011-02-09
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Characterization of dye-decolorizing peroxidases from Rhodococcus jostii RHA1.
Biochemistry, 50, 2011
3QNR
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BU of 3qnr by Molmil
DyPB from Rhodococcus jostii RHA1, crystal form 1
Descriptor: DyP Peroxidase, FORMIC ACID, GLYCEROL, ...
Authors:Singh, R, Roberts, J.N, Grigg, J.C, Eltis, L.D, Murphy, M.E.P.
Deposit date:2011-02-09
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of dye-decolorizing peroxidases from Rhodococcus jostii RHA1.
Biochemistry, 50, 2011
7Q2A
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BU of 7q2a by Molmil
Crystal structure of AphC in complex with 4-ethylcatechol
Descriptor: 4-ethylbenzene-1,2-diol, CALCIUM ION, Catechol 2,3-dioxygenase, ...
Authors:Zahn, M, Grigg, J.C, Eltis, L.D, McGeehan, J.E.
Deposit date:2021-10-25
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Characterization of a phylogenetically distinct extradiol dioxygenase involved in the bacterial catabolism of lignin-derived aromatic compounds.
J.Biol.Chem., 298, 2022
1FQT
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BU of 1fqt by Molmil
CRYSTAL STRUCTURE OF THE RIESKE-TYPE FERREDOXIN ASSOCIATED WITH BIPHENYL DIOXYGENASE
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, RIESKE-TYPE FERREDOXIN OF BIPHENYL DIOXYGENASE
Authors:Colbert, C.L, Couture, M.M.-J, Eltis, L.D, Bolin, J.T.
Deposit date:2000-09-06
Release date:2001-01-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A cluster exposed: structure of the Rieske ferredoxin from biphenyl dioxygenase and the redox properties of Rieske Fe-S proteins.
Structure Fold.Des., 8, 2000
4QDD
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BU of 4qdd by Molmil
Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with 1,4-30Q-CoA
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
4QDC
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BU of 4qdc by Molmil
Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with FE2/S2 (INORGANIC) CLUSTER
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, 4-ANDROSTENE-3-17-DIONE, FE (III) ION, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
4QCK
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BU of 4qck by Molmil
Crystal structure of 3-ketosteroid-9-alpha-hydroxylase (KshA) from M. tuberculosis in complex with 4-androstene-3,17-dione
Descriptor: 3-ketosteroid-9-alpha-monooxygenase oxygenase subunit, 4-ANDROSTENE-3-17-DIONE, FE (III) ION, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-12
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
4QDF
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BU of 4qdf by Molmil
Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
6OJW
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BU of 6ojw by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 holo-LsdA
Descriptor: FE (III) ION, GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, ...
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
6OJR
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BU of 6ojr by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 apo-LsdA
Descriptor: GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, MAGNESIUM ION
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
6OJT
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BU of 6ojt by Molmil
Crystal structure of Sphingomonas paucimobilis TMY1009 LsdA phenylazophenol complex
Descriptor: 4-Hydroxyazobenzene, FE (III) ION, Lignostilbene-alpha,beta-dioxygenase isozyme I
Authors:Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D.
Deposit date:2019-04-12
Release date:2019-07-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase.
J.Biol.Chem., 294, 2019
5CW8
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BU of 5cw8 by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA
Descriptor: HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-27
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5CXI
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BU of 5cxi by Molmil
Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA)
Descriptor: 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR
Authors:Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-07-29
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
2VF2
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BU of 2vf2 by Molmil
X-ray crystal structure of HsaD from Mycobacterium tuberculosis
Descriptor: 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, SULFATE ION
Authors:Lack, N, Lowe, E.D, Liu, J, Eltis, L.D, Noble, M.E.M, Sim, E, Westwood, I.M.
Deposit date:2007-10-29
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of Hsad, a Steroid-Degrading Hydrolase, from Mycobacterium Tuberculosis.
Acta Crystallogr.,Sect.F, 64, 2008
6XM8
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BU of 6xm8 by Molmil
Crystal structure of lignostilbene bound to Co-LSD4 from Sphingobium sp. strain SYK-6
Descriptor: COBALT (II) ION, DIMETHYL SULFOXIDE, Dioxygenase, ...
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
6XMA
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BU of 6xma by Molmil
Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6
Descriptor: Dioxygenase, FE (III) ION, SULFATE ION
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021
6XM9
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BU of 6xm9 by Molmil
Crystal structure of vanillin bound to Co-LSD4 from Sphingobium sp. strain SYK-6
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, ACETATE ION, COBALT (II) ION, ...
Authors:Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D.
Deposit date:2020-06-29
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6.
J.Biol.Chem., 296, 2021

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