4NG7
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![BU of 4ng7 by Molmil](/molmil-images/mine/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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6KWG
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![BU of 6kwg by Molmil](/molmil-images/mine/6kwg) | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-09-06 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
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6KWF
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![BU of 6kwf by Molmil](/molmil-images/mine/6kwf) | Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ... | Authors: | Li, C, Wan, Q. | Deposit date: | 2019-09-06 | Release date: | 2020-12-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography. Protein J., 39, 2020
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6L1U
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![BU of 6l1u by Molmil](/molmil-images/mine/6l1u) | Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril | Descriptor: | Alpha-synuclein | Authors: | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | Deposit date: | 2019-09-30 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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4P1E
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![BU of 4p1e by Molmil](/molmil-images/mine/4p1e) | Crystal structure of a trap periplasmic solute binding protein from escherichia fergusonii (efer_1530), target EFI-510119, apo open structure, phased with iodide | Descriptor: | IODIDE ION, TRAP dicarboxylate transporter, DctP subunit | 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, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-02-26 | Release date: | 2014-03-19 | Last modified: | 2023-12-27 | 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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4P3K
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![BU of 4p3k by Molmil](/molmil-images/mine/4p3k) | Structure of ancestral PyrR protein (PLUMPyrR) | Descriptor: | Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | Deposit date: | 2014-03-08 | Release date: | 2014-12-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P47
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![BU of 4p47 by Molmil](/molmil-images/mine/4p47) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM OCHROBACTRUM ANTHROPI (Oant_4429), TARGET EFI-510151, C-TERMIUS BOUND IN LIGAND BINDING POCKET | Descriptor: | TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-12 | Release date: | 2014-04-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 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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4PH2
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![BU of 4ph2 by Molmil](/molmil-images/mine/4ph2) | mature N-terminal domain of capsid protein from bovine leukemia virus | Descriptor: | BLV capsid - N-terminal domain, GLYCEROL, SULFATE ION | Authors: | Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A. | Deposit date: | 2014-05-03 | Release date: | 2015-06-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography. Science, 349, 2015
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4P80
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![BU of 4p80 by Molmil](/molmil-images/mine/4p80) | Structure of ancestral PyrR protein (AncGREENPyrR) | Descriptor: | Ancestral PyrR protein (Green), SULFATE ION | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | Deposit date: | 2014-03-29 | Release date: | 2014-12-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4PFR
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![BU of 4pfr by Molmil](/molmil-images/mine/4pfr) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RHODOBACTER SPHAEROIDES (Rsph17029_3541, TARGET EFI-510203), APO OPEN PARTIALLY DISORDERED | Descriptor: | D-MALATE, TRAP dicarboxylate transporter, DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-30 | Release date: | 2014-05-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 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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4P56
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![BU of 4p56 by Molmil](/molmil-images/mine/4p56) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM BORDETELLA BRONCHISEPTICA, TARGET EFI-510038 (BB2442), WITH BOUND (R)-MANDELATE and (S)-MANDELATE | Descriptor: | (R)-MANDELIC ACID, (S)-MANDELIC ACID, Putative extracellular solute-binding protein, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-14 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | 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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4P81
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![BU of 4p81 by Molmil](/molmil-images/mine/4p81) | Structure of ancestral PyrR protein (AncORANGEPyrR) | Descriptor: | Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | Deposit date: | 2014-03-29 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P82
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![BU of 4p82 by Molmil](/molmil-images/mine/4p82) | Structure of PyrR protein from Bacillus subtilis | Descriptor: | Bifunctional protein PyrR, SULFATE ION | Authors: | Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A. | Deposit date: | 2014-03-30 | Release date: | 2014-12-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Evolution of oligomeric state through allosteric pathways that mimic ligand binding. Science, 346, 2014
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4P8B
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![BU of 4p8b by Molmil](/molmil-images/mine/4p8b) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM RALSTONIA EUTROPHA H16 (H16_A1328), TARGET EFI-510189, WITH BOUND (S)-2-hydroxy-2-methyl-3-oxobutanoate ((S)-2-Acetolactate) | Descriptor: | (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, TRAP-type transporter, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-03-31 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.3 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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4PBQ
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![BU of 4pbq by Molmil](/molmil-images/mine/4pbq) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, L-gulonate, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-13 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 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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4PFI
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![BU of 4pfi by Molmil](/molmil-images/mine/4pfi) | Crystal structure of a tRAP periplasmic solute binding protein from marinobacter aquaeolei VT8 (Maqu_2829, TARGET EFI-510133), apo open structure | Descriptor: | SODIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-29 | Release date: | 2014-05-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3024 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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4PCD
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![BU of 4pcd by Molmil](/molmil-images/mine/4pcd) | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM ROSEOBACTER DENITRIFICANS OCh 114 (RD1_1052, TARGET EFI-510238) WITH BOUND L-GALACTONATE | Descriptor: | C4-dicarboxylate transport system, substrate-binding protein, putative, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-15 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | 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
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7V8I
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![BU of 7v8i by Molmil](/molmil-images/mine/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
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![BU of 7v8m by Molmil](/molmil-images/mine/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
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![BU of 7v8l by Molmil](/molmil-images/mine/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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4N2K
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![BU of 4n2k by Molmil](/molmil-images/mine/4n2k) | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | 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 (1.57 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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4N2H
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![BU of 4n2h by Molmil](/molmil-images/mine/4n2h) | Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | 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 (1.808 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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4N20
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![BU of 4n20 by Molmil](/molmil-images/mine/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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4N8R
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![BU of 4n8r by Molmil](/molmil-images/mine/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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4N2B
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![BU of 4n2b by Molmil](/molmil-images/mine/4n2b) | Crystal structure of Protein Arginine Deiminase 2 (10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Protein-arginine deiminase type-2 | 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 (1.69 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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