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3UBL
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BU of 3ubl by Molmil
Crystal structure of glutathione transferase (TARGET EFI-501770) from leptospira interrogans with gsh bound
Descriptor: CHLORIDE ION, GLUTATHIONE, GLYCEROL, ...
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:2011-10-24
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Glutathione S-Transferase from Leptospira Interrogans
To be Published
3RGT
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BU of 3rgt by Molmil
Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with D-Arabinohydroxamate
Descriptor: (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide, COBALT (II) ION, D-mannonate dehydratase
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2011-04-09
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of d-mannonate dehydratase from Chromohalobacter salexigens complexed with d-arabinohydroxamate
To be Published
3RLV
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BU of 3rlv by Molmil
Crystal structure of the mutant Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP
Descriptor: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.421 Å)
Cite:Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme.
Biochemistry, 51, 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
3RHG
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BU of 3rhg by Molmil
Crystal structure of amidohydrolase pmi1525 (target efi-500319) from proteus mirabilis hi4320
Descriptor: BENZOIC ACID, CACODYLATE ION, Putative phophotriesterase, ...
Authors:Patskovsky, Y, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-04-11
Release date:2011-04-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal Structure of Amidohydrolase Pmi1525 from Proteus Mirabilis Hi4320
To be Published
3UJ2
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BU of 3uj2 by Molmil
CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
Descriptor: Enolase 1, MAGNESIUM ION, SULFATE ION
Authors:Vetting, M.W, Toro, R, Bhosle, R, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-11-07
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:CRYSTAL STRUCTURE OF AN ENOLASE FROM ANAEROSTIPES CACCAE (EFI TARGET EFI-502054) WITH BOUND MG AND SULFATE
to be published
3UGV
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BU of 3ugv by Molmil
Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
Descriptor: CHLORIDE ION, Enolase, MAGNESIUM ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-11-03
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of an enolase from alpha pretobacterium bal199 (EFI TARGET EFI-501650) with bound MG
to be published
1DTN
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BU of 1dtn by Molmil
MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
Descriptor: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
Authors:Clifton, J.G, Petsko, G.A.
Deposit date:1996-03-28
Release date:1996-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: importance of electrophilic catalysis by glutamic acid 317.
Biochemistry, 34, 1995
1MRA
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BU of 1mra by Molmil
MANDELATE RACEMASE MUTANT D270N CO-CRYSTALLIZED WITH (S)-ATROLACTATE
Descriptor: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
Authors:Clifton, J.G, Petsko, G.A.
Deposit date:1996-03-12
Release date:1996-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the D270N mutant.
Biochemistry, 35, 1996
1MNS
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BU of 1mns by Molmil
ON THE ROLE OF LYSINE 166 IN THE MECHANISM OF MANDELATE RACEMASE FROM PSEUDOMONAS PUTIDA: MECHANISTIC AND CRYSTALLOGRAPHIC EVIDENCE FOR STEREOSPECIFIC ALKYLATION BY (R)-ALPHA-PHENYLGLYCIDATE
Descriptor: ATROLACTIC ACID (2-PHENYL-LACTIC ACID), MAGNESIUM ION, MANDELATE RACEMASE
Authors:Neidhart, D.J, Landro, J.A, Kozarich, J.W.
Deposit date:1993-07-06
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The role of lysine 166 in the mechanism of mandelate racemase from Pseudomonas putida: mechanistic and crystallographic evidence for stereospecific alkylation by (R)-alpha-phenylglycidate.
Biochemistry, 33, 1994
1MDL
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BU of 1mdl by Molmil
MANDELATE RACEMASE MUTANT K166R CO-CRYSTALLIZED WITH (R)-MANDELATE
Descriptor: (R)-MANDELIC ACID, (S)-MANDELIC ACID, MAGNESIUM ION, ...
Authors:Clifton, J.G, Petsko, G.A.
Deposit date:1996-03-29
Release date:1996-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase: structure and mechanistic properties of the K166R mutant.
Biochemistry, 34, 1995
2MNR
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BU of 2mnr by Molmil
MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES
Descriptor: MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION
Authors:Neidhart, D.J, Petsko, G.A.
Deposit date:1993-07-06
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5-A resolution: identification of the active site and possible catalytic residues.
Biochemistry, 30, 1991
6P78
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BU of 6p78 by Molmil
queuine lyase from Clostridium spiroforme bound to SAM and queuine
Descriptor: 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, IRON/SULFUR CLUSTER, Queuine lyase, ...
Authors:Almo, S.C, Grove, T.L.
Deposit date:2019-06-05
Release date:2019-09-18
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
7LC5
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BU of 7lc5 by Molmil
Crystal structure of epoxyqueuosine reductase QueH from Thermotoga maritima
Descriptor: CHLORIDE ION, Epoxyqueuosine reductase QueH, FE (III) ION, ...
Authors:Li, Q, Bruner, S.D.
Deposit date:2021-01-09
Release date:2021-11-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Epoxyqueuosine Reductase QueH in the Biosynthetic Pathway to tRNA Queuosine Is a Unique Metalloenzyme.
Biochemistry, 60, 2021
6DRR
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BU of 6drr by Molmil
Crystal structure of Cj0485 dehydrogenase
Descriptor: 1,2-ETHANEDIOL, Short-chain dehydrogenase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2018-06-12
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:The gastrointestinal pathogen Campylobacter jejuni metabolizes sugars with potential help from commensal Bacteroides vulgatus.
Commun Biol, 3, 2020
6DS1
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BU of 6ds1 by Molmil
Crystal structure of Cj0485 dehydrogenase in complex with NADP+
Descriptor: GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2018-06-13
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:The gastrointestinal pathogen Campylobacter jejuni metabolizes sugars with potential help from commensal Bacteroides vulgatus.
Commun Biol, 3, 2020
2YB4
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BU of 2yb4 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound SO4, no metal
Descriptor: AMIDOHYDROLASE, SULFATE ION
Authors:Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C.
Deposit date:2011-03-01
Release date:2011-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
2YB1
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BU of 2yb1 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate.
Descriptor: ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ...
Authors:Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C.
Deposit date:2011-02-25
Release date:2011-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
3BSM
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BU of 3bsm by Molmil
Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens
Descriptor: Mandelate racemase/muconate lactonizing enzyme
Authors:Fedorov, A.A, Fedorov, E.V, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-12-25
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of D-mannonate dehydratase from Chromohalobacter salexigens.
To be Published
6CHK
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BU of 6chk by Molmil
Crystal structure of LacI family transcriptional regulator from Lactobacillus casei, Target EFI-512911, with bound TRIS
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Shabalin, I.G, Kowiel, M, Porebski, P.J, Minor, W, Jaskolski, M, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative, E.F.I.
Deposit date:2018-02-22
Release date:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Automatic recognition of ligands in electron density by machine learning.
Bioinformatics, 35, 2019
4QS5
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BU of 4qs5 by Molmil
CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT
Descriptor: 4-hydroxy-3-methoxy-5-nitrobenzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Raushel, M, Almo, S.C.
Deposit date:2014-07-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of 5-CARBOXYVANILLATE Decarboxylase from Novosphingobium Aromaticivorans
To be Published
4A35
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BU of 4a35 by Molmil
Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1)
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1
Authors:Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W.
Deposit date:2011-09-30
Release date:2011-10-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
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
3N05
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BU of 3n05 by Molmil
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM STREPTOMYCES AVERMITILIS
Descriptor: NH(3)-dependent NAD(+) synthetase, SULFATE ION
Authors:Patskovsky, Y, Toro, R, Freeman, J, Do, J, Sauder, J.M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-05-13
Release date:2010-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Nh3-Dependent Nad+ Synthetase from Streptomyces Avermitilis
To be Published
3CAW
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BU of 3caw by Molmil
Crystal structure of o-succinylbenzoate synthase from Bdellovibrio bacteriovorus liganded with Mg
Descriptor: MAGNESIUM ION, o-succinylbenzoate synthase
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-02-20
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014

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