4XDL
 
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ... | | Authors: | Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
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2WOL
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 | | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL | | Authors: | MacKenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-27 | | Release date: | 2009-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid.
J.Mol.Biol., 396, 2010
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2WOP
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with arginine | | Descriptor: | ACETATE ION, ARGININE, CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, ... | | Authors: | MacKenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-27 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid.
J.Mol.Biol., 396, 2010
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2WOK
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 complexed with bradykinin | | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL, Kininogen-1 | | Authors: | Mackenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-26 | | Release date: | 2009-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of an oligopeptide-binding protein from the biosynthetic pathway of the beta-lactamase inhibitor clavulanic acid.
J. Mol. Biol., 396, 2010
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2JAH
 | | Biochemical and structural analysis of the Clavulanic acid dehydeogenase (CAD) from Streptomyces clavuligerus | | Descriptor: | CLAVULANIC ACID DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I. | | Deposit date: | 2006-11-28 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
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2JAP
 | | Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the beta-Lactamase Inhibitor Clavulanic acid | | Descriptor: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, CLAVALDEHYDE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | MacKenzie, A.K, Kershaw, N.J, Hernandez, H, Robinson, C.V, Schofield, C.J, Andersson, I. | | Deposit date: | 2006-11-29 | | Release date: | 2007-02-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Clavulanic Acid Dehydrogenase: Structural and Biochemical Analysis of the Final Step in the Biosynthesis of the Beta-Lactamase Inhibitor Clavulanic Acid
Biochemistry, 46, 2007
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6XYZ
 | | Crystal structure of the GH18 chitinase ChiB from the chitin utilization locus of Flavobacterium johnsoniae | | Descriptor: | 1,2-ETHANEDIOL, Candidate chitinase Glycoside hydrolase family 18, FORMIC ACID | | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V, Pope, P, Branden, G, Larsbrink, J. | | Deposit date: | 2020-01-31 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
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6YHH
 | | X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | | Deposit date: | 2020-03-30 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
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5LZI
 | | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | | Descriptor: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Heggelund, J.E, Mackenzie, A, Krengel, U. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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4XDK
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine | | Descriptor: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
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4XDJ
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
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4YHG
 | | NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYSACCHARIDE UTILIZATION LOCUS | | Descriptor: | GH5, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Naas, A.E, MacKenzie, A.K, Dalhus, B, Eijsink, V.G.H, Pope, P.B. | | Deposit date: | 2015-02-27 | | Release date: | 2015-07-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus.
Sci Rep, 5, 2015
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4YHE
 | | NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYSACCHARIDE UTILIZATION LOCUS | | Descriptor: | GH5 | | Authors: | Naas, A.E, MacKenzie, A.K, Dalhus, B, Eijsink, V.G.H, Pope, P.B. | | Deposit date: | 2015-02-27 | | Release date: | 2015-05-20 | | Last modified: | 2015-07-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus.
Sci Rep, 5, 2015
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4OY8
 | | Structure of ScLPMO10B in complex with zinc. | | Descriptor: | ACETATE ION, Putative secreted cellulose-binding protein, ZINC ION | | Authors: | Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H. | | Deposit date: | 2014-02-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4OY6
 | | Structure of ScLPMO10B in complex with copper. | | Descriptor: | ACETATE ION, COPPER (II) ION, Putative secreted cellulose-binding protein, ... | | Authors: | Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H. | | Deposit date: | 2014-02-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4OY7
 | | Structure of cellulose active LPMO CelS2 (ScLPMO10C) in complex with Copper. | | Descriptor: | CALCIUM ION, COPPER (II) ION, Putative secreted cellulose binding protein | | Authors: | Forsberg, Z, Mackenzie, A.K, Sorlie, M, Rohr, A.K, Helland, R, Arvai, A.S, Vaaje-Kolstad, G, Eijsink, V.G.H. | | Deposit date: | 2014-02-11 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6FAO
 | | Discovery and characterization of a thermostable GH6 endoglucanase from a compost metagenome | | Descriptor: | 1,2-ETHANEDIOL, Glycoside hydrolase family 6, SULFATE ION | | Authors: | Jensen, M.S, Fredriksen, L, MacKenzie, A.K, Pope, P.B, Chylenski, P, Leiros, I, Williamson, A.K, Christopeit, T, Ostby, H, Vaaje-Kolstad, G, Eijsink, V.G.H. | | Deposit date: | 2017-12-15 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery and characterization of a thermostable two-domain GH6 endoglucanase from a compost metagenome.
PLoS ONE, 13, 2018
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4BW5
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P. | | Deposit date: | 2013-06-30 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
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4TWK
 | | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | | Deposit date: | 2014-06-30 | | Release date: | 2014-08-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
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2XRQ
 | | Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin | | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Holmner, A, Mackenzie, A, Okvist, M, Jansson, L, Lebens, M, Teneberg, S, Krengel, U. | | Deposit date: | 2010-09-19 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin
J.Mol.Biol., 406, 2011
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2XRS
 | | Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin | | Descriptor: | HEAT-LABILE ENTEROTOXIN B CHAIN, beta-D-galactopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Holmner, A, Mackenzie, A, Okvist, M, Jansson, L, Lebens, M, Teneberg, S, Krengel, U. | | Deposit date: | 2010-09-20 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Crystal Structures Exploring the Origins of the Broader Specificity of Escherichia Coli Heat-Labile Enterotoxin Compared to Cholera Toxin
J.Mol.Biol., 406, 2011
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5ACB
 | | Crystal Structure of the Human Cdk12-Cyclink Complex | | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-08-14 | | Release date: | 2016-06-15 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
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5A6R
 | | Crystal structure of the BTB domain of human KCTD17 | | Descriptor: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | | Authors: | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-06-30 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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5A7Q
 | | Crystal structure of human JMJD2A in complex with compound 30 | | Descriptor: | 1,2-ETHANEDIOL, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | Authors: | Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Dixon-Clarke, S, MacKenzie, A, Nowak, R, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | | Deposit date: | 2015-07-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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3ZDU
 | | Crystal structure of the human CDKL3 kinase domain | | Descriptor: | 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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