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6B6A
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BU of 6b6a by Molmil
Beta-Lactamase, 2secs timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6E
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BU of 6b6e by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 500ms
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B68
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BU of 6b68 by Molmil
Beta-Lactamase, 100ms timepoint, mixed, shards crystal form
Descriptor: (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, Ceftriaxone, ...
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Pandey, S.
Deposit date:2017-09-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
Descriptor: Beta-lactamase, Ceftriaxone
Authors:Pandey, S, Schmidt, M.
Deposit date:2017-10-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6BAK
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BU of 6bak by Molmil
The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Schmidt, M, Stojkovic, E.
Deposit date:2017-10-13
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
6BAF
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BU of 6baf by Molmil
Structure of the chromophore binding domain of Stigmatella aurantiaca phytochrome P1, wild-type
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Schmidt, M, Stojkovic, E.
Deposit date:2017-10-12
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
6BAP
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BU of 6bap by Molmil
Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Schmidt, M, Stojkovic, E.
Deposit date:2017-10-14
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
6BAY
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BU of 6bay by Molmil
Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Schmidt, M, Stojkovic, E.
Deposit date:2017-10-16
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
8E9F
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BU of 8e9f by Molmil
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Descriptor: 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, BENZAMIDINE, WD repeat-containing protein 5
Authors:Rietz, T.A, Fesik, S.W.
Deposit date:2022-08-26
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models.
Proc.Natl.Acad.Sci.USA, 120, 2023
6BAO
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BU of 6bao by Molmil
Stigmatella aurantiaca phytochrome photosensory core module, wild type
Descriptor: 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
Authors:Schmidt, M, Stojkovic, E.
Deposit date:2017-10-14
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
4MX6
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BU of 4mx6 by Molmil
Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate
Descriptor: CHLORIDE ION, SUCCINIC ACID, TRAP-type C4-dicarboxylate:H+ symport system substrate-binding component DctP
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, 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:2013-09-25
Release date:2013-10-16
Last modified:2024-02-28
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
4N8Y
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BU of 4n8y by Molmil
Crystal structure of a trap periplasmic solute binding protein from bradyrhizobium sp. btai1 b (bbta_0128), target EFI-510056 (bbta_0128), complex with alpha/beta-d-galacturonate
Descriptor: Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic acid, ...
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:2013-10-18
Release date:2013-11-20
Last modified:2023-09-20
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
4N6K
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BU of 4n6k by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate
Descriptor: TRAP dicarboxylate transporter-DctP subunit, bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate
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:2013-10-13
Release date:2013-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N91
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BU of 4n91 by Molmil
Crystal structure of a trap periplasmic solute binding protein from anaerococcus prevotii dsm 20548 (Apre_1383), target EFI-510023, with bound alpha/beta d-glucuronate
Descriptor: CHLORIDE ION, TETRAETHYLENE GLYCOL, 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:2013-10-18
Release date:2013-11-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NAP
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BU of 4nap by Molmil
Crystal structure of a trap periplasmic solute binding protein from Desulfovibrio alaskensis G20 (DDE_0634), target EFI-510102, with bound d-tryptophan
Descriptor: D-TRYPTOPHAN, Extracellular solute-binding protein, family 7
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:2013-10-22
Release date:2013-11-13
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N8G
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BU of 4n8g by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0660), Target EFI-501075, with bound D-alanine-D-alanine
Descriptor: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
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:2013-10-17
Release date:2013-10-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NGU
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BU of 4ngu by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala
Descriptor: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
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:2013-11-02
Release date:2013-12-04
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NHB
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BU of 4nhb by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
Descriptor: IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit
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:2013-11-04
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NF0
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BU of 4nf0 by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM PSEUDOMONAS AERUGINOSA PAO1 (PA4616), TARGET EFI-510182, WITH BOUND L-Malate
Descriptor: (2S)-2-hydroxybutanedioic acid, Probable c4-dicarboxylate-binding protein, SULFATE ION
Authors:Vetting, M.W, Patskovsky, Y, 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:2013-10-30
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4NG7
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BU of 4ng7 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Citrobacter koseri (CKO_04899), Target EFI-510094, apo, open structure
Descriptor: TRAP periplasmic solute binding protein
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:2013-11-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N17
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BU of 4n17 by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Burkholderia ambifaria (BAM_6123), Target EFI-510059, With bound beta-D-galacturonate
Descriptor: CALCIUM ION, CHLORIDE ION, TRAP dicarboxylate transporter, ...
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 (1.501 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5VXV
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BU of 5vxv by Molmil
Peroxisomal membrane protein PEX15
Descriptor: Peroxisomal membrane protein PEX15
Authors:Gardner, B.M, Castanzo, D.T.
Deposit date:2017-05-24
Release date:2018-01-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The peroxisomal AAA-ATPase Pex1/Pex6 unfolds substrates by processive threading.
Nat Commun, 9, 2018
4N6D
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BU of 4n6d by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638 (Desal_3247), Target EFI-510112, phased with I3C, open complex, C-terminus of symmetry mate bound in ligand binding site
Descriptor: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, 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:2013-10-11
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N4U
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BU of 4n4u by Molmil
Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049
Descriptor: GLYCEROL, Putative ABC transporter periplasmic solute-binding protein
Authors:Patskovsky, Y, Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N, 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:2013-10-08
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 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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數據於2024-06-12公開中

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