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4MCO
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BU of 4mco by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), target EFI-510211, with bound malonate
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MALONATE ION, 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, 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:2013-08-21
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MNC
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BU of 4mnc 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 P21
Descriptor: BENZOYL-FORMIC ACID, SULFATE ION, 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:2024-02-28
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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
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
4MEV
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BU of 4mev by Molmil
Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422
Descriptor: CITRIC ACID, MALONATE ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, 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:2013-08-27
Release date:2013-09-04
Last modified:2023-09-20
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
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
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
7EZC
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BU of 7ezc by Molmil
Adenosine A2a receptor mutant-I92N
Descriptor: 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Adenosine receptor A2a,Soluble cytochrome b562
Authors:Cui, M, Zhou, Q, Yao, D, Zhao, S, Song, G.
Deposit date:2021-06-01
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Crystal structure of a constitutive active mutant of adenosine A 2A receptor.
Iucrj, 9, 2022
8HMX
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BU of 8hmx by Molmil
WDR5 in complex with histone H3Q5his peptide
Descriptor: WD repeat-containing protein 5, histone H3Q5his peptide
Authors:Li, H.T, Zhao, S, Wang, H.F.
Deposit date:2022-12-06
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:WDR5 in complex with histone H3Q5his peptide
To Be Published
7XDT
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BU of 7xdt by Molmil
Structural basis for Gemin5 decamer-mediated mRNA binding
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-03-28
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022
7XGR
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BU of 7xgr by Molmil
Structure of Gemin5 C-terminal region (protomer)
Descriptor: Gem-associated protein 5
Authors:Guo, Q, Zhao, S, Zhang, K, Xu, C.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for Gemin5 decamer-mediated mRNA binding.
Nat Commun, 13, 2022
6JLU
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BU of 6jlu by Molmil
Structure of PSII-FCP supercomplex from a centric diatom Chaetoceros gracilis at 3.02 angstrom resolution
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Pi, X, Zhao, S, Wang, W, Kuang, T, Sui, S, Shen, J.
Deposit date:2019-03-06
Release date:2019-07-31
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Science, 365, 2019
6J94
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BU of 6j94 by Molmil
Crystal structure of CYP97A3
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
Authors:Niu, G, Guo, Q, Wang, J, Zhao, S.
Deposit date:2019-01-22
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6J95
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BU of 6j95 by Molmil
Crystal structure of CYP97A3 in complex with retinal
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic, ...
Authors:Niu, G, Guo, Q, Wang, J, Zhao, S.
Deposit date:2019-01-22
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
6M0W
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BU of 6m0w by Molmil
Crystal structure of Streptococcus thermophilus Cas9 in complex with the AGAA PAM
Descriptor: CRISPR-associated endonuclease Cas9 1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*GP*AP*AP*GP*C)-3'), ...
Authors:Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q.
Deposit date:2020-02-23
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
6M0X
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BU of 6m0x by Molmil
Crystal structure of Streptococcus thermophilus Cas9 in complex with AGGA PAM
Descriptor: BARIUM ION, CRISPR-associated endonuclease Cas9 1, DNA (28-MER), ...
Authors:Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q.
Deposit date:2020-02-23
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
6M0V
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BU of 6m0v by Molmil
Crsytal structure of streptococcus thermophilus Cas9 in complex with the GGAA PAM
Descriptor: BARIUM ION, CRISPR-associated endonuclease Cas9 1, DNA (28-MER), ...
Authors:Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q.
Deposit date:2020-02-22
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
8W4O
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BU of 8w4o by Molmil
Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8W4P
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BU of 8w4p by Molmil
Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8DS8
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BU of 8ds8 by Molmil
Crystal structure of human TNRC18 BAH domain in complex with H3K9me3 peptide
Descriptor: Histone H3.1, Trinucleotide repeat-containing gene 18 protein
Authors:Song, J.K, Lu, J.W.
Deposit date:2022-07-21
Release date:2023-08-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:TNRC18 engages H3K9me3 to mediate silencing of endogenous retrotransposons.
Nature, 623, 2023
4H2H
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BU of 4h2h by Molmil
Crystal structure of an enolase (mandalate racemase subgroup, target EFI-502101) from Pelagibaca bermudensis htcc2601, with bound mg and l-4-hydroxyproline betaine (betonicine)
Descriptor: (2S,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate, (4S)-2-METHYL-2,4-PENTANEDIOL, IODIDE ION, ...
Authors:Vetting, M.W, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-09-12
Release date:2012-10-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of new enzymes and metabolic pathways by using structure and genome context.
Nature, 502, 2013
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
8J7Z
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BU of 8j7z by Molmil
Structure of FCP trimer in Cyclotella meneghiniana
Descriptor: (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, CHLOROPHYLL A, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-04-28
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8J5K
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BU of 8j5k by Molmil
Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-04-23
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023

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