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3KXP
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BU of 3kxp by Molmil
Crystal Structure of E-2-(Acetamidomethylene)succinate Hydrolase
Descriptor: Alpha-(N-acetylaminomethylene)succinic acid hydrolase, CHLORIDE ION
Authors:McCulloch, K.M, Mukherjee, T, Begley, T.P, Ealick, S.E.
Deposit date:2009-12-03
Release date:2010-02-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure determination and characterization of the vitamin B(6) degradative enzyme (E)-2-(acetamidomethylene)succinate hydrolase.
Biochemistry, 49, 2010
3KOO
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BU of 3koo by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-11-13
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.791 Å)
Cite:Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 20, 2010
2WUE
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BU of 2wue by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPODA
Descriptor: (3E,5R)-8-(2-CHLOROPHENYL)-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 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 (1.8 Å)
Cite:Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
2WUF
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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
2WUG
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BU of 2wug by Molmil
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPDA
Descriptor: (3E)-2,6-DIOXO-6-PHENYLHEX-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.L, Sim, E, Eltis, L.D.
Deposit date:2009-10-02
Release date:2009-10-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of a C-C Hydrolase from Mycobacterium Tuberuclosis Involved in Cholesterol Metabolism.
J.Biol.Chem., 285, 2010
2WUD
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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
3IA2
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Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog
Descriptor: (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ...
Authors:Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K.
Deposit date:2009-07-13
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Different active-site loop orientation in serine hydrolases versus acyltransferases.
Chembiochem, 12, 2011
2WM2
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BU of 2wm2 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A IN COMPLEX WITH CHLORIDE
Descriptor: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, CHLORIDE ION, GLYCEROL, ...
Authors:Steiner, R.A.
Deposit date:2009-06-29
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
3I28
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BU of 3i28 by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: 4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide, Epoxide hydrolase 2
Authors:Farrow, N.A.
Deposit date:2009-06-29
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I1Y
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BU of 3i1y by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3I1I
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BU of 3i1i by Molmil
X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis
Descriptor: ACETATE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Osipiuk, J, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-06-26
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis.
To be published
3HYS
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BU of 3hys by Molmil
Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
3HZO
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BU of 3hzo by Molmil
Rv0554 from Mycobacterium tuberculosis - the structure solved from the tetragonal crystal form
Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, SODIUM ION, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-23
Release date:2010-06-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of Rv0554 from Mycobacterium tuberculosis
To be Published
3HSS
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BU of 3hss by Molmil
A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ...
Authors:Johnston, J.M, Baker, E.N.
Deposit date:2009-06-10
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
3A2M
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BU of 3a2m by Molmil
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2L
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BU of 3a2l by Molmil
Crystal structure of DBJA (mutant dbja delta)
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2N
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BU of 3a2n by Molmil
Crystal structure of DBJA (Wild Type Type II P21)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
2WJ6
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BU of 2wj6 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A COMPLEXED WITH ITS NATURAL PRODUCT N- ACETYLANTHRANILATE
Descriptor: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ...
Authors:Steiner, R.A.
Deposit date:2009-05-22
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WJ3
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BU of 2wj3 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A
Descriptor: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, GLYCEROL, S,R MESO-TARTARIC ACID
Authors:Steiner, R.A.
Deposit date:2009-05-20
Release date:2010-01-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
2WJ4
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BU of 2wj4 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A ANAEROBICALLY COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4-OXOQUINALDINE
Descriptor: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, GLYCEROL, ...
Authors:Steiner, R.A.
Deposit date:2009-05-20
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
3HI4
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BU of 3hi4 by Molmil
Switching catalysis from hydrolysis to perhydrolysis in P. fluorescens esterase
Descriptor: ACETATE ION, Arylesterase, GLYCEROL, ...
Authors:Purpero, V.M.
Deposit date:2009-05-18
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
3HEA
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BU of 3hea by Molmil
The L29P/L124I mutation of Pseudomonas fluorescens esterase
Descriptor: Arylesterase, ETHYL ACETATE, GLYCEROL, ...
Authors:Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L.
Deposit date:2009-05-08
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
2WFL
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BU of 2wfl by Molmil
Crystal structure of polyneuridine aldehyde esterase
Descriptor: POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2009-08-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
2WFM
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Crystal structure of polyneuridine aldehyde esterase mutant (H244A)
Descriptor: POLYNEURIDINE ALDEHYDE ESTERASE
Authors:Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2009-04-08
Release date:2010-04-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
3GZJ
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BU of 3gzj by Molmil
Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine
Descriptor: 16-epi-Vellosimine, Polyneuridine-aldehyde esterase
Authors:Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J.
Deposit date:2009-04-07
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis and enzymatic mechanism of the biosynthesis of C9- from C10-monoterpenoid indole alkaloids
Angew.Chem.Int.Ed.Engl., 48, 2009

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