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4XDL
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CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK2 (K2P10.1) IN COMPLEX WITH A BROMINATED FLUOXETINE DERIVATIVE.
Descriptor:Potassium channel subfamily K member 10, POTASSIUM ION, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
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:2018-01-10
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
3ZDU
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CRYSTAL STRUCTURE OF THE HUMAN CDKL3 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 3, [4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile, ZINC 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:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human Cdkl3 Kinase Domain
To be Published
4TWK
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CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK1 (K2P2.1)
Descriptor:Potassium channel subfamily K member 2, POTASSIUM 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
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
2XRQ
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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-GALACTOSE, N-ACETYL-D-GALACTOSAMINE, ...
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:2015-04-01
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
2XRS
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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, N-ACETYL-D-GLUCOSAMINE, BETA-D-GALACTOSE
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:2017-06-28
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
4BW5
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CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK2 (K2P10.1)
Descriptor:POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, CADMIUM ION, ...
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:2019-03-06
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
4XDJ
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CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK2 (K2P10.1) IN AN ALTERNATE CONFORMATION (FORM 2)
Descriptor:POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, 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:2015-04-01
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
4XDK
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CRYSTAL STRUCTURE OF HUMAN TWO PORE DOMAIN POTASSIUM ION CHANNEL TREK2 (K2P10.1) IN COMPLEX WITH NORFLUOXETINE
Descriptor:Potassium channel subfamily K member 10, POTASSIUM ION, 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:2018-01-10
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
5LZI
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PORCINE HEAT-LABILE ENTEROTOXIN R13H IN COMPLEX WITH INHIBITOR MM146
Descriptor:Heat-labile enterotoxin B chain, GLYCEROL, (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, ...
Authors:Heggelund, J.E., Mackenzie, A., Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2017-06-07
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
5A6R
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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:2018-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
5A7Q
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 30
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, 2-(5-azanyl-2-oxidanyl-phenyl)pyridine-4-carboxylic acid, ...
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:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5G6V
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CRYSTAL STRUCTURE OF THE PCTAIRE1 KINASE IN COMPLEX WITH INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 16, 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, 1,2-ETHANEDIOL
Authors:Dixon-Clarke, S.E., Galan Bartual, S., Elkins, J., Savitsky, P., Kopec, J., Mackenzie, A., Tallant, C., Heroven, C., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2016-08-16
Release date:2016-11-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Pctaire1 Kinase in Complex with Inhibitor
To be Published
4CXA
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CRYSTAL STRUCTURE OF THE HUMAN CDK12-CYCLIN K COMPLEX BOUND TO AMPPNP
Descriptor:CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Dixon Clarke, S.E., Elkins, J.M., Pike, A.C.W., Nowak, R., Goubin, S., Mahajan, R.P., Kopec, J., Froese, S., Tallant, C., Carpenter, E.P., Mackenzie, A., Faust, B., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2014-04-04
Release date:2014-05-21
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
5ACB
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CRYSTAL STRUCTURE OF THE HUMAN CDK12-CYCLINK COMPLEX
Descriptor:CYCLIN-K, CYCLIN-DEPENDENT KINASE 12, 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
5LZG
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CHOLERA TOXIN EL TOR B-PENTAMER IN COMPLEX WITH INHIBITOR PC262
Descriptor:Cholera enterotoxin subunit B, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[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-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-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Heggelund, J.E., Martinsen, T., Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
5LZH
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CHOLERA TOXIN CLASSICAL B-PENTAMER IN COMPLEX WITH INHIBITOR PC262
Descriptor:Cholera enterotoxin B subunit, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[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-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, ...
Authors:Heggelund, J.E., Martinsen, T., Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
5LZJ
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CHOLERA TOXIN EL TOR B-PENTAMER IN COMPLEX WITH INHIBITOR LAURA237
Descriptor:Cholera enterotoxin subunit B, SULFATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Heggelund, J.E., Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017