4MPF
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![BU of 4mpf by Molmil](/molmil-images/mine/4mpf) | Crystal structure of human glutathione transferase theta-2, complex with inorganic phosphate, GSH free, target EFI-507257 | Descriptor: | Glutathione S-transferase theta-2, L(+)-TARTARIC ACID, PHOSPHATE ION | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Gerlt, J.A, Armstrong, R.N, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-12 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Glutathione S-Transferase Theta-2 (Target Efi-507257) To be Published
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4N6K
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![BU of 4n6k by Molmil](/molmil-images/mine/4n6k) | Crystal structure of a TRAP periplasmic solute binding protein from Desulfovibrio salexigens DSM2638, Target EFI-510113 (Desal_0342), complex with diglycerolphosphate | Descriptor: | TRAP dicarboxylate transporter-DctP subunit, bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | 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: | 2013-10-13 | Release date: | 2013-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 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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4N91
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![BU of 4n91 by Molmil](/molmil-images/mine/4n91) | 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 | Descriptor: | CHLORIDE ION, TETRAETHYLENE GLYCOL, 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: | 2013-10-18 | Release date: | 2013-11-13 | Last modified: | 2020-07-29 | 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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4MZJ
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![BU of 4mzj by Molmil](/molmil-images/mine/4mzj) | Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[801,805], a stapled myoA tail peptide | Descriptor: | Myosin A tail domain interacting protein, Myosin-A | Authors: | Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W. | Deposit date: | 2013-09-30 | Release date: | 2013-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.474 Å) | Cite: | Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction. Acs Chem.Biol., 8, 2014
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5SYN
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![BU of 5syn by Molmil](/molmil-images/mine/5syn) | Cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ML349 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5lambda~6~-thieno[3,2-c][1]benzothiopyran-5,5(4H)-dione, Acyl-protein thioesterase 2 | Authors: | Stuckey, J.A, Labby, K.J, Meagher, J.L, Won, S.J, Martin, B.R. | Deposit date: | 2016-08-11 | Release date: | 2016-10-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2). ACS Chem. Biol., 11, 2016
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4MSM
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![BU of 4msm by Molmil](/molmil-images/mine/4msm) | Crystal structure of Schizosaccharomyces pombe AMSH-like protease sst2 E286A mutant bound to ubiquitin | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease sst2, PHOSPHATE ION, ... | Authors: | Shrestha, R.K, Ronau, J.A, Das, C. | Deposit date: | 2013-09-18 | Release date: | 2014-06-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product. Biochemistry, 53, 2014
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4MUP
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![BU of 4mup by Molmil](/molmil-images/mine/4mup) | Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure | Descriptor: | AMIDOHYDROLASE | Authors: | Vetting, M.W, Bouvier, J.T, Groninger-Poe, F, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-09-23 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure To be Published
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5TYF
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![BU of 5tyf by Molmil](/molmil-images/mine/5tyf) | DNA Polymerase Mu Product Complex, 10 mM Mg2+ (270 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-19 | Release date: | 2017-08-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.971 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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5TYW
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![BU of 5tyw by Molmil](/molmil-images/mine/5tyw) | DNA Polymerase Mu Reactant Complex, Mn2+ (10 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2016-11-21 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
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4MS7
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![BU of 4ms7 by Molmil](/molmil-images/mine/4ms7) | Crystal structure of Schizosaccharomyces pombe sst2 catalytic domain | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMSH-like protease sst2, ... | Authors: | Shrestha, R.K, Ronau, J.A, Das, C. | Deposit date: | 2013-09-18 | Release date: | 2014-06-18 | Method: | X-RAY DIFFRACTION (1.673 Å) | Cite: | Insights into the Mechanism of Deubiquitination by JAMM Deubiquitinases from Cocrystal Structures of the Enzyme with the Substrate and Product. Biochemistry, 53, 2014
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4MX6
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![BU of 4mx6 by Molmil](/molmil-images/mine/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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4N0V
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![BU of 4n0v by Molmil](/molmil-images/mine/4n0v) | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 | Descriptor: | Glutathione S-transferase, N-terminal domain | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Glenn, A.S, Chowdhury, S, Evans, B, Zhao, S.C, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-10-02 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a glutathione S-transferase domain-containing protein (Marinobacter aquaeolei VT8), Target EFI-507332 TO BE PUBLISHED
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4LNT
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![BU of 4lnt by Molmil](/molmil-images/mine/4lnt) | Crystal Structure of tRNA Proline (CGG) Bound to Codon CCC-U on the Ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | Deposit date: | 2013-07-12 | Release date: | 2014-08-06 | Last modified: | 2014-12-10 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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4LLT
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![BU of 4llt by Molmil](/molmil-images/mine/4llt) | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, Geranyltranstransferase | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Stead, M, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-09 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site To be Published
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5TOD
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![BU of 5tod by Molmil](/molmil-images/mine/5tod) | Transmembrane protein 24 SMP domain | Descriptor: | Transmembrane protein 24 | Authors: | Lees, J.A, Reinisch, K.M. | Deposit date: | 2016-10-17 | Release date: | 2017-03-01 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Lipid transport by TMEM24 at ER-plasma membrane contacts regulates pulsatile insulin secretion. Science, 355, 2017
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5TYI
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![BU of 5tyi by Molmil](/molmil-images/mine/5tyi) | Grb7 SH2 with bicyclic peptide containing pY mimetic | Descriptor: | Growth factor receptor-bound protein 7, Peptide inhibitor | Authors: | Watson, G.M, Wilce, M.C.J, Wilce, J.A. | Deposit date: | 2016-11-20 | Release date: | 2017-11-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target. J. Med. Chem., 60, 2017
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4LN5
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![BU of 4ln5 by Molmil](/molmil-images/mine/4ln5) | Crystal structure of a trap periplasmic solute binding protein from burkholderia ambifaria (Bamb_6123), TARGET EFI-510059, with bound glycerol and chloride ion | Descriptor: | CHLORIDE ION, GLYCEROL, TRAP dicarboxylate transporter, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-11 | Release date: | 2013-08-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 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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5T3D
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![BU of 5t3d by Molmil](/molmil-images/mine/5t3d) | Crystal structure of holo-EntF a nonribosomal peptide synthetase in the thioester-forming conformation | Descriptor: | 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine, Enterobactin synthase component F | Authors: | Miller, B.R, Drake, E.J, Sundlov, J.A, Gulick, A.M. | Deposit date: | 2016-08-25 | Release date: | 2016-09-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of two distinct conformations of holo-non-ribosomal peptide synthetases. Nature, 529, 2016
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4LOB
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![BU of 4lob by Molmil](/molmil-images/mine/4lob) | Crystal structure of polyprenyl diphosphate synthase A1S_2732 (Target EFI-509223) from Acinetobacter baumannii | Descriptor: | CHLORIDE ION, GLYCEROL, Polyprenyl synthetase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-07-12 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of polyprenyl diphosphate synthase from Acinetobacter baumannii To be Published
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5T20
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![BU of 5t20 by Molmil](/molmil-images/mine/5t20) | Crystal Structure of Tarin Lectin bound to Trimannose | Descriptor: | 1,2-ETHANEDIOL, Lectin, alpha-D-mannopyranose, ... | Authors: | Pereira, P.R, Meagher, J.L, Stuckey, J.A. | Deposit date: | 2016-08-22 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | High-resolution crystal structures of Colocasia esculenta tarin lectin. Glycobiology, 27, 2017
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4L9S
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![BU of 4l9s by Molmil](/molmil-images/mine/4l9s) | Crystal Structure of H-Ras G12C, GDP-bound | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | Deposit date: | 2013-06-18 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.606 Å) | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature, 503, 2013
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4LEL
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![BU of 4lel by Molmil](/molmil-images/mine/4lel) | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCG-G on the Ribosome | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | Deposit date: | 2013-06-25 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.90000033 Å) | Cite: | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops. Proc.Natl.Acad.Sci.USA, 111, 2014
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5V4L
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![BU of 5v4l by Molmil](/molmil-images/mine/5v4l) | |
5UP9
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![BU of 5up9 by Molmil](/molmil-images/mine/5up9) | Crystal Structure of Zn-bound Human Heavy-Chain ferritin variant 122H-delta C-star with para-xylenedihydroxamate | Descriptor: | 2,2'-(1,4-phenylene)bis(N-hydroxyacetamide), DI(HYDROXYETHYL)ETHER, Ferritin heavy chain, ... | Authors: | Bailey, J.B, Zhang, L, Chiong, J.A, Ahn, S, Tezcan, F.A. | Deposit date: | 2017-02-01 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Synthetic Modularity of Protein-Metal-Organic Frameworks. J. Am. Chem. Soc., 139, 2017
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4LDC
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![BU of 4ldc by Molmil](/molmil-images/mine/4ldc) | Crystal Structure of DOC2B C2B domain | Descriptor: | CALCIUM ION, CITRATE ANION, Double C2-like domain-containing protein beta | Authors: | Giladi, M, Almagor, L, Hirsch, J.A. | Deposit date: | 2013-06-24 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.264 Å) | Cite: | The C2B Domain Is the Primary Ca(2+) Sensor in DOC2B: A Structural and Functional Analysis. J.Mol.Biol., 425, 2013
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