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7FEF
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Crystal structure of AtMBD6 with DNA
分子名称: DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6
著者Wu, Z.B, Liu, K, Min, J.R.
登録日2021-07-19
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
7FEO
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Crystal structure of AtMBD5 MBD domain
分子名称: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
著者Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2021-07-21
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
4N8Y
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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
分子名称: Putative TRAP-type C4-dicarboxylate transport system, binding periplasmic protein (DctP subunit), alpha-D-galactopyranuronic acid, ...
著者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)
登録日2013-10-18
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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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Crystal structure of a TRAP periplasmic solute binding protein from Burkholderia ambifaria (BAM_6123), Target EFI-510059, With bound beta-D-galacturonate
分子名称: CALCIUM ION, CHLORIDE ION, TRAP dicarboxylate transporter, ...
著者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)
登録日2013-10-03
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献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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Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate
分子名称: TRAP dicarboxylate transporter-DctP subunit, bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate
著者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)
登録日2013-10-13
公開日2013-11-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献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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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
分子名称: CHLORIDE ION, TETRAETHYLENE GLYCOL, TRAP dicarboxylate transporter, ...
著者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)
登録日2013-10-18
公開日2013-11-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4MQ1
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The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ...
著者Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L.
登録日2013-09-15
公開日2013-12-11
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4MX6
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Crystal structure of a trap periplasmic solute binding protein from shewanella oneidensis (SO_3134), target EFI-510275, with bound succinate
分子名称: CHLORIDE ION, SUCCINIC ACID, TRAP-type C4-dicarboxylate:H+ symport system substrate-binding component DctP
著者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)
登録日2013-09-25
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
4N6D
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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
分子名称: 1,2-ETHANEDIOL, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, CHLORIDE ION, ...
著者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)
登録日2013-10-11
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7VOA
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Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpaca nanobody
著者Ma, H, Zeng, W.H, Jin, T.C.
登録日2021-10-13
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hetero-bivalent nanobodies provide broad-spectrum protection against SARS-CoV-2 variants of concern including Omicron.
Cell Res., 32, 2022
7XDQ
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Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7XDR
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Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens
分子名称: Glucosylglycerol phosphorylase
著者Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X.
登録日2022-03-28
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
7EK4
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prawn ferritin to coordinate with heavy metal ions
分子名称: FE (III) ION, Ferritin, MERCURY (II) ION
著者Wang, Y, Zang, J.
登録日2021-04-03
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
7EK7
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prawn ferritin to coordinate with heavy metal ions
分子名称: Ferritin, MERCURY (II) ION
著者Wang, Y, Zang, J.
登録日2021-04-04
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
7EK5
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prawn ferritin to coordinate with heavy metal ions
分子名称: CADMIUM ION, FE (III) ION, Ferritin
著者Wang, Y, Zang, J.
登録日2021-04-03
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights for the Stronger Ability of Shrimp Ferritin to Coordinate with Heavy Metal Ions as Compared to Human H-Chain Ferritin.
Int J Mol Sci, 22, 2021
7X3L
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
分子名称: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
4NGU
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Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio alaskensis G20 (Dde_1548), Target EFI-510103, with bound D-Ala-D-Ala
分子名称: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
著者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)
登録日2013-11-02
公開日2013-12-04
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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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Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella bronchiseptica RB50, TARGET EFI-510049
分子名称: GLYCEROL, Putative ABC transporter periplasmic solute-binding protein
著者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)
登録日2013-10-08
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献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
分子名称: D-TRYPTOPHAN, Extracellular solute-binding protein, family 7
著者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)
登録日2013-10-22
公開日2013-11-13
最終更新日2015-02-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7VFB
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the complex of SARS-CoV2 3cl and NB2B4
分子名称: 3C-like proteinase, nb2b4
著者Geng, Y, Sun, Z.C, Wang, L.
登録日2021-09-11
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VFA
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the complex of SARS-CoV2 3CL and NB1A2
分子名称: 3C-like proteinase, NB1A2, SULFATE ION
著者Sun, Z.C, Wang, L, Geng, Y.
登録日2021-09-11
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
4N8G
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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
分子名称: CHLORIDE ION, D-ALANINE, SULFATE ION, ...
著者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)
登録日2013-10-17
公開日2013-10-30
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
7X8X
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structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
分子名称: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
著者Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
登録日2022-03-15
公開日2023-04-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
4NHB
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Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio desulfuricans (Ddes_1525), Target EFI-510107, with bound sn-glycerol-3-phosphate
分子名称: IODIDE ION, SN-GLYCEROL-3-PHOSPHATE, TRAP dicarboxylate transporter-DctP subunit
著者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)
登録日2013-11-04
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献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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