6WK1
 
 | | SETD3 in Complex with an Actin Peptide with His73 Replaced with Methionine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2020-04-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation.
J.Biol.Chem., 295, 2020
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6WTT
 | | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | | Deposit date: | 2020-05-03 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
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8GYB
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8GYA
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8GY4
 | | Crystal structure of Alongshan virus methyltransferase | | Descriptor: | Methyltransferase | | Authors: | Chen, H, Lin, S, Lu, G.W. | | Deposit date: | 2022-09-21 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
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8GY9
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8H5U
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ... | | Authors: | Yang, J, Lin, S, Lu, G.W. | | Deposit date: | 2022-10-13 | | Release date: | 2023-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
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4MIJ
 | | 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
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4MNI
 | | 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
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5OLQ
 | | Rhamnogalacturonan lyase | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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4N17
 | | 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
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4MX6
 | | 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
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4MCO
 | | 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
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4MEV
 | | 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
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4N15
 | | 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
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7RNV
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7RNS
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7RN0
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7RNU
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7RN1
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1X0V
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1X0X
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3MO0
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11 | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3MO5
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72 | | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3MO2
 | | human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 | | Descriptor: | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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