4N8R
 
 | | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | Deposit date: | 2013-10-17 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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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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4N20
 | | Crystal structure of Protein Arginine Deiminase 2 (0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.657 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N24
 | | Crystal structure of Protein Arginine Deiminase 2 (100 uM Ca2+) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.968 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N2M
 | | Crystal structure of Protein Arginine Deiminase 2 (E354A, 0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-05 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4N2F
 | | Crystal structure of Protein Arginine Deiminase 2 (D169A, 0 mM Ca2+) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | | Deposit date: | 2013-10-04 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design.
Acs Chem.Biol., 10, 2015
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4NF0
 | | 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
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4NG7
 | | 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
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4NHB
 | | 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
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4OVS
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFUROSPIRILLUM DELEYIANUM DSM 6946 (Sdel_0447), TARGET EFI-510309, WITH BOUND SUCCINATE | | Descriptor: | CHLORIDE ION, SUCCINIC ACID, 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: | 2013-12-13 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-27 | | 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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4OA4
 | | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SHEWANELLA LOIHICA PV-4 (Shew_1446), TARGET EFI-510273, WITH BOUND SUCCINATE | | Descriptor: | CHLORIDE ION, SUCCINIC ACID, 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: | 2014-01-03 | | Release date: | 2014-02-05 | | Last modified: | 2015-02-25 | | 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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7V8I
 | | LolCD(E171Q)E with bound AMPPNP in nanodiscs | | Descriptor: | Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE, ... | | Authors: | Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
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7V8M
 | | LolCDE-apo in nanodiscs | | Descriptor: | Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE | | Authors: | Luo, Q.S, Bei, W.W, Shi, H.G, Zhang, X.Z, Huang, Y.H. | | Deposit date: | 2021-08-23 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
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7V8L
 | | LolCDE with bound RcsF in nanodiscs | | Descriptor: | (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ... | | Authors: | Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H. | | Deposit date: | 2021-08-23 | | Release date: | 2022-09-21 | | Last modified: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
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7YEZ
 | | In situ structure of polymerase complex of mammalian reovirus in the reloaded state | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-06 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YF0
 | | In situ structure of polymerase complex of mammalian reovirus in the core | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-07 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YEV
 | | In situ structure of polymerase complex of mammalian reovirus in the pre-elongation state | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-06 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YED
 | | In situ structure of polymerase complex of mammalian reovirus in the elongation state | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Lambda-2 protein, MAGNESIUM ION, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-05 | | Release date: | 2023-04-05 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YFE
 | | In situ structure of polymerase complex of mammalian reovirus in virion | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA (5'-R(P*AP*CP*GP*AP*UP*UP*AP*GP*C)-3'), ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-08 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7D7F
 | | Structure of PKD1L3-CTD/PKD2L1 in calcium-bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Polycystic kidney disease 2-like 1 protein, ... | | Authors: | Su, Q, Shi, Y.G. | | Deposit date: | 2020-10-03 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for Ca 2+ activation of the heteromeric PKD1L3/PKD2L1 channel.
Nat Commun, 12, 2021
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7XUZ
 | | Crystal structure of a HDAC4-MEF2A-DNA ternary complex | | Descriptor: | DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*A)-3'), Histone deacetylase 4, ... | | Authors: | Dai, S.Y, Guo, L, Dey, R, Guo, M, Bates, D, Cayford, J, Chen, X.J, Wei, X.D, Chen, L, Chen, Y.H. | | Deposit date: | 2022-05-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.591 Å) | | Cite: | Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation.
Nucleic Acids Res., 52, 2024
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4IC6
 | | Crystal structure of Deg8 | | Descriptor: | Protease Do-like 8, chloroplastic | | Authors: | Gong, W, Sun, W, Fan, H, Gao, F, Liu, L. | | Deposit date: | 2012-12-10 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structures of Arabidopsis Deg5 and Deg8 reveal new insights into HtrA proteases
Acta Crystallogr.,Sect.D, 69, 2013
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4IC5
 | | Crystal structure of Deg5 | | Descriptor: | CALCIUM ION, Protease Do-like 5, chloroplastic | | Authors: | Gong, W, Sun, W, Fan, H, Gao, F, Liu, L. | | Deposit date: | 2012-12-10 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.607 Å) | | Cite: | The structures of Arabidopsis Deg5 and Deg8 reveal new insights into HtrA proteases
Acta Crystallogr.,Sect.D, 69, 2013
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7XM5
 | | Keap1 Kelch domain (residues 322-609) in complex with 6i | | Descriptor: | Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide | | Authors: | Xu, K. | | Deposit date: | 2022-04-24 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
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7XM4
 | | Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6e | | Descriptor: | Kelch-like ECH-associated protein 1, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide | | Authors: | Xu, K. | | Deposit date: | 2022-04-24 | | Release date: | 2022-07-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
J.Med.Chem., 65, 2022
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