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4KKM
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BU of 4kkm by Molmil
Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-05-06
Release date:2013-05-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a FPP/GFPP synthase (Target EFI-501952) from Zymomonas mobilis, apo structure
To be Published
4K7G
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BU of 4k7g by Molmil
Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site
Descriptor: 3-hydroxyproline dehydratse, ACETATE ION, CITRIC ACID, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-04-17
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site
To be Published
4KA0
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BU of 4ka0 by Molmil
Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221
Descriptor: CHLORIDE ION, Putative thiol-disulfide oxidoreductase
Authors:Vetting, M.W, Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R.D, Bonanno, J.B, Armstrong, R.N, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-04-21
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a putative thiol-disulfide oxidoreductase from Bacteroides vulgatus (target NYSGRC-011676), space group P21221
To be Published
4KAE
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BU of 4kae by Molmil
Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site
Descriptor: CITRIC ACID, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, GLYCEROL, ...
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-04-22
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, TARGET EFI-507175, with bound dicarboxyethyl glutathione and citrate in the active site
To be Published
4KGI
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BU of 4kgi by Molmil
Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-his-tag linker in active site
Descriptor: GLUTATHIONE, Glutathione S-transferase
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-04-29
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a glutathione transferase family member from Shigella flexneri, target EFI-507258, bound GSH, TEV-His-tag linker in active site
To be published
4L8E
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BU of 4l8e by Molmil
Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUTATHIONE, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-17
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a glutathione transferase family member from xenorhabdus nematophila, target efi-507418, with two gsh per subunit
To be published
4LB0
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BU of 4lb0 by Molmil
Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
Descriptor: 4-HYDROXYPROLINE, ACETATE ION, Uncharacterized protein
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-20
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a hydroxyproline epimerase from agrobacterium vitis, target efi-506420, with bound trans-4-oh-l-proline
To be Published
4LFE
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BU of 4lfe by Molmil
Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, partially liganded complex;
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl diphosphate synthase, MAGNESIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-26
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J
To be Published
4LLS
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BU of 4lls by Molmil
Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP, and calcium bound in active site
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, GERANYL S-THIOLODIPHOSPHATE, ...
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-07-09
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with IPP, GSPP and calcium bound in active site
To be Published
4LFG
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BU of 4lfg by Molmil
Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, fully liganded complex;
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl Diphosphate Synthase, MAGNESIUM ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-06-26
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J
To be Published
4LLT
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BU of 4llt by Molmil
Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, Geranyltranstransferase
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-07-09
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
To be Published
4LN5
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BU of 4ln5 by Molmil
Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion
Descriptor: CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-07-11
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4LOB
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BU of 4lob by Molmil
Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii
Descriptor: CHLORIDE ION, GLYCEROL, Polyprenyl synthetase
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-07-12
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii
To be Published
3BRH
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BU of 3brh by Molmil
Protein Tyrosine Phosphatase PTPN-22 (Lyp) bound to the mono-Phosphorylated Lck active site peptide
Descriptor: Lck Active Site Peptide, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 22
Authors:Seidel, R.D, Love, J, Piserchio, A, Cowburn, D.
Deposit date:2007-12-21
Release date:2009-02-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lyp/PTPN22 Phosphatase Domain: Substrate Recognition and Specificity for Src family kinases
To be Published
2PMQ
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BU of 2pmq by Molmil
Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Roseovarius sp. HTCC2601
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Lau, C, Sridhar, V, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-04-23
Release date:2007-05-08
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
3TOU
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BU of 3tou by Molmil
Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia solanacearum GMI1000 with GSH bound
Descriptor: ACETATE ION, GLUTATHIONE, Glutathione s-transferase protein
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-09-06
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of GLUTATHIONE S-TRANSFERASE from Ralstonia solanacearum
To be Published
3TS7
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BU of 3ts7 by Molmil
CRYSTAL STRUCTURE OF FARNESYL DIPHOSPHATE SYNTHASE (TARGET EFI-501951) FROM Methylococcus capsulatus
Descriptor: Geranyltranstransferase, PHOSPHATE ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-09-12
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3UCA
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BU of 3uca by Molmil
Crystal structure of isoprenoid synthase (target EFI-501974) from clostridium perfringens
Descriptor: Geranyltranstransferase
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-10-26
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
3EAC
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BU of 3eac by Molmil
Crystal structure of SH2 domain of Human Csk (carboxyl-terminal src kinase), Oxidized form.
Descriptor: Tyrosine-protein kinase CSK
Authors:Liu, D, Seidel, R.D, Cowburn, D.
Deposit date:2008-08-25
Release date:2009-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Combining biophysical methods to analyze the disulfide bond in SH2 domain of C-terminal Src kinase.
Biophys Rep, 2, 2016
3EAZ
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BU of 3eaz by Molmil
Crystal structure of SH2 domain of Human Csk (carboxyl-terminal src kinase), C122S mutant.
Descriptor: Tyrosine-protein kinase CSK
Authors:Liu, D, Seidel, R.D, Cowburn, D.
Deposit date:2008-08-26
Release date:2009-11-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Combining biophysical methods to analyze the disulfide bond in SH2 domain of C-terminal Src kinase.
Biophys Rep, 2, 2016
3R0U
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BU of 3r0u by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate and Mg complex
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-06
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R1Z
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BU of 3r1z by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu
Descriptor: ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-11
Release date:2011-04-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R0K
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BU of 3r0k by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate bound, no Mg
Descriptor: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-08
Release date:2011-03-30
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R11
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BU of 3r11 by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg and Fumarate complex
Descriptor: Enzyme of enolase superfamily, FUMARIC ACID, GLYCEROL, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3R10
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BU of 3r10 by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Mg complex
Descriptor: Enzyme of enolase superfamily, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2011-03-09
Release date:2011-04-20
Last modified:2012-03-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012

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