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4N0V
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BU of 4n0v by Molmil
Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332
Descriptor: Glutathione S-transferase, N-terminal domain
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-02
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332
TO BE PUBLISHED
4PKA
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BU of 4pka by Molmil
Crystal structure of patatin aged with diisopropylphosphorofluoridate
Descriptor: Patatin-17
Authors:Wijeyesakere, S.J, Richardson, R.J, Stuckey, J.A.
Deposit date:2014-05-14
Release date:2014-10-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
4PQT
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BU of 4pqt by Molmil
Insights into the mechanism of deubiquitination by JAMM deubiquitinases from co-crystal structures of enzyme with substrate and product
Descriptor: 1,2-ETHANEDIOL, AMSH-like protease sst2, Protein UBBP4, ...
Authors:Shrestha, R.K, Ronau, J.A, Das, C.
Deposit date:2014-03-04
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
4PR6
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BU of 4pr6 by Molmil
A Second Look at the HDV Ribozyme Structure and Dynamics.
Descriptor: HDV RIBOZYME SELF-CLEAVED, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A
Authors:Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S.
Deposit date:2014-03-05
Release date:2014-10-29
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New tools provide a second look at HDV ribozyme structure, dynamics and cleavage.
Nucleic Acids Res., 42, 2014
4PC9
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BU of 4pc9 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSENBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND D-MANNONATE
Descriptor: C4-dicarboxylate transport system, substrate-binding protein, putative, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-14
Release date:2014-05-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PDH
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BU of 4pdh by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM POLAROMONAS SP JS666 (Bpro_1871, TARGET EFI-510164) BOUND TO D-ERYTHRONATE
Descriptor: (2R,3R)-2,3,4-trihydroxybutanoic acid, TRAP dicarboxylate transporter, DctP subunit
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-18
Release date:2014-05-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PE3
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BU of 4pe3 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3620, TARGET EFI-510199), APO OPEN STRUCTURE
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, IMIDAZOLE, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-22
Release date:2014-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4PCJ
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BU of 4pcj by Molmil
Modifications to toxic CUG RNAs induce structural stability and rescue mis-splicing in Myotonic Dystrophy
Descriptor: MAGNESIUM ION, trCUG-3('5)
Authors:Coonrod, L.A, Reister, E.E, Berglund, J.A.
Deposit date:2014-04-15
Release date:2014-10-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modifications to toxic CUG RNAs induce structural stability, rescue mis-splicing in a myotonic dystrophy cell model and reduce toxicity in a myotonic dystrophy zebrafish model.
Nucleic Acids Res., 42, 2014
4PIT
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BU of 4pit by Molmil
Crystal Structure of Banana Lectin H84T bound to dimannose
Descriptor: GLYCEROL, Ripening-associated protein, alpha-D-mannopyranose, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2014-05-09
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Engineering a Therapeutic Lectin by Uncoupling Mitogenicity from Antiviral Activity.
Cell, 163, 2015
4PKB
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BU of 4pkb by Molmil
CRYSTAL STRUCTURE OF PATATIN-17 COMPLEXED WITH METHYL ARACHIDONYL FLUOROPHOSPHONATE (MAFP)
Descriptor: METHYL ARACHIDONYL FLUOROPHOSPHONATE, Patatin-17
Authors:Wijeyesakere, S.J, Richardson, R.J, Stuckey, J.A.
Deposit date:2014-05-14
Release date:2014-10-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of Patatin-17 in Complex with Aged and Non-Aged Organophosphorus Compounds.
Plos One, 9, 2014
4MST
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BU of 4mst by Molmil
Crystal Structure of a putative catalytic domain of a chitinase-like protein (HbCLP1) from Hevea brasiliensis
Descriptor: CHLORIDE ION, class I chitinase
Authors:Martinez-Caballero, S, Hermoso, J.A, Rodriguez-Romero, A.
Deposit date:2013-09-18
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Comparative study of two GH19 chitinase-like proteins from Hevea brasiliensis, one exhibiting a novel carbohydrate-binding domain.
Febs J., 281, 2014
4N15
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BU of 4n15 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Burkholderia ambifaria (BAM_6123), Target EFI-510059, with bound beta-D-glucuronate
Descriptor: MAGNESIUM ION, TRAP dicarboxylate transporter, DctP subunit, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Zhao, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-03
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N2Y
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BU of 4n2y by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus
Descriptor: GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C.
Deposit date:2013-10-06
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Crystal structure of orotidine 5'-monophosphate decarboxylase from Archaeoglobus fulgidus
To be Published
4MIU
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BU of 4miu by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23T/V99T at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2013-09-02
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Cavities in proteins
To be Published
4MMW
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BU of 4mmw by Molmil
Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate
Descriptor: (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, CHLORIDE ION, Isomerase/lactonizing enzyme, ...
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
Deposit date:2013-09-09
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate
To be Published
4MSD
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BU of 4msd by Molmil
Crystal structure of Schizosaccharomyces pombe AMSH-like protein SST2 T319I mutant
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, AMSH-like protease sst2, ...
Authors:Shrestha, R.K, Ronau, J.A, Das, C.
Deposit date:2013-09-18
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product.
Biochemistry, 53, 2014
4MIJ
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BU of 4mij by Molmil
Crystal structure of a Trap periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_3107), target EFI-510173, with bound alpha/beta D-Galacturonate, space group P21
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-08-31
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MNI
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BU of 4mni by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522
Descriptor: BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-09-10
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NAV
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BU of 4nav by Molmil
Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608
Descriptor: HYPOTHETICAL PROTEIN XCC279
Authors:Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-10-22
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of hypothetical protein XCC2798 from Xanthomonas campestris, Target EFI-508608
TO BE PUBLISHED
4MZL
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BU of 4mzl by Molmil
Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic
Descriptor: Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic
Authors:Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
Deposit date:2013-09-30
Release date:2013-11-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
4Q60
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BU of 4q60 by Molmil
Crystal structure of a 4-hydroxyproline epimerase from Burkholderia Multivorans atcc 17616, target EFI-506586, open form, with bound pyrrole-2-carboxylate
Descriptor: GLYCEROL, PROLINE RACEMASE, PYRROLE-2-CARBOXYLATE
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Sojitra, S, Stead, M, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-04-18
Release date:2014-05-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CRYSTAL STRUCTURE OF PROLINE RACEMASE Bmul_4447 FROM Burkholderia multivorans, TARGET EFI-506586
To be Published
4QGK
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BU of 4qgk by Molmil
Structure of the Human Sjogren Larsson Syndrome enzyme fatty aldehyde dehydrogenase (FALDH)
Descriptor: Fatty aldehyde dehydrogenase
Authors:Zander, U, Keller, M, Marquez, J.A.
Deposit date:2014-05-23
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A gatekeeper helix determines the substrate specificity of Sjogren-Larsson Syndrome enzyme fatty aldehyde dehydrogenase.
Nat Commun, 5, 2014
4QOH
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BU of 4qoh by Molmil
Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RESVERATROL, ...
Authors:Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G.
Deposit date:2014-06-20
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of fad quinone reductase 2 in complex with resveratrol at 1.6A
To be Published
4PX8
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BU of 4px8 by Molmil
Structure of P. vulgaris HigB toxin
Descriptor: CHLORIDE ION, Killer protein
Authors:Schureck, M.A, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
Deposit date:2014-03-22
Release date:2015-10-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Defining the mRNA recognition signature of a bacterial toxin protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
4O7M
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BU of 4o7m by Molmil
Crystal structure of a trap periplasmic solute binding protein from shewanella loihica PV-4, target EFI-510273, with bound L-malate
Descriptor: (2S)-2-hydroxybutanedioic acid, SULFATE ION, TRAP dicarboxylate transporter, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2013-12-25
Release date:2014-03-05
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015

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