Author results

2WM3
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CRYSTAL STRUCTURE OF NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 IN COMPLEX WITH NIFLUMIC ACID
Descriptor:NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID, ...
Authors:Bhatia, C., Yue, W.W., Niesen, F., Pilka, E., Ugochukwu, E., Savitsky, P., Hozjan, V., Roos, A.K., Filippakopoulos, P., von Delft, F., Heightman, T., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-06-29
Release date:2009-08-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
To be Published
2WMD
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CRYSTAL STRUCTURE OF NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1 IN COMPLEX WITH NADP AND 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Descriptor:NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1, 2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bhatia, C., Pilka, E., Niesen, F., Yue, W.W., Ugochukwu, E., Savitsky, P., Hozjan, V., Roos, A.K., Filippakopoulos, P., von Delft, F., Heightman, T., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2009-06-30
Release date:2009-07-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Nmra-Like Family Domain Containing Protein 1
To be Published
2JC6
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CRYSTAL STRUCTURE OF HUMAN CALMODULIN-DEPENDENT PROTEIN KINASE 1D
Descriptor:CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE
Authors:Debreczeni, J.E., Rellos, P., Fedorov, O., Niesen, F.H., Bhatia, C., Shrestha, L., Salah, E., Smee, C., Colebrook, S., Berridge, G., Gileadi, O., Bunkoczi, G., Ugochukwu, E., Pike, A.C.W., von Delft, F., Knapp, S., Sundstrom, M., Weigelt, J., Arrowsmith, C.H., Edwards, A.
Deposit date:2006-12-19
Release date:2007-02-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D
To be Published
3O4R
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CRYSTAL STRUCTURE OF HUMAN DEHYDROGENASE/REDUCTASE (SDR FAMILY) MEMBER 4 (DHRS4)
Descriptor:Dehydrogenase/reductase SDR family member 4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1,2-ETHANEDIOL, ...
Authors:Ugochukwu, E., Bhatia, C., Krojer, T., Vollmar, M., Yue, W.W., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., von Delft, F., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2010-07-27
Release date:2010-08-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4)
To be Published
3KVO
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN HYDROXYSTEROID DEHYDROGENASE LIKE 2 (HSDL2)
Descriptor:Hydroxysteroid dehydrogenase-like protein 2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ugochukwu, E., Bhatia, C., Huang, J., Pilka, E., Muniz, J.R.C., Pike, A.C.W., Krojer, T., von Delft, F., Arrowsmith, C.H., Weigelt, J., Edwards, A., Bountra, C., Verdin, E.M., Oppermann, U., Kavanagh, K.L., Structural Genomics Consortium (SGC)
Deposit date:2009-11-30
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the catalytic domain of human Hydroxysteroid dehydrogenase like 2 (HSDL2)
To be Published
6HV0
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IRE1 KINASE/RNASE IN COMPLEX WITH IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE COMPOUND 33
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
Authors:Bayliss, R., Bhatia, C., Collins, I.
Deposit date:2018-10-09
Release date:2019-02-27
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
6GT1
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NEK7 BOUND TO PURINE INHIBITOR
Descriptor:Serine/threonine-protein kinase Nek7, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
Authors:Byrne, M.J., Cunnison, R.F., Bhatia, C., Bayliss, R.W.
Deposit date:2018-06-15
Release date:2018-07-18
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of a Nek7/inhibitor complex achieved through protein engineering of the R-spine
To Be Published
6H0O
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NEK2 BOUND TO PURINE INHIBITOR
Descriptor:Serine/threonine-protein kinase Nek2, 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide, GLYCEROL
Authors:Byrne, M.J., Cunnison, R.F., Bhatia, C., Bayliss, R.W.
Deposit date:2018-07-10
Release date:2018-08-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a Nek2/inhibitor complex
To Be Published
2IHD
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CRYSTAL STRUCTURE OF HUMAN REGULATOR OF G-PROTEIN SIGNALING 8, RGS8
Descriptor:Regulator of G-protein signaling 8, CHLORIDE ION
Authors:Turnbull, A.P., Papagrigoriou, E., Ugochukwu, E., Salah, E., Gileadi, C., Burgess, N., Bhatia, C., Gileadi, O., Bray, J., Elkins, J., von Delft, F., Weigelt, J., Edwards, A., Arrowsmith, C., Sundstrom, M., Doyle, D.A., Structural Genomics Consortium (SGC)
Deposit date:2006-09-26
Release date:2006-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2Q3E
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STRUCTURE OF HUMAN UDP-GLUCOSE DEHYDROGENASE COMPLEXED WITH NADH AND UDP-GLUCOSE
Descriptor:UDP-glucose 6-dehydrogenase, CHLORIDE ION, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Kavanagh, K.L., Guo, K., Bunkoczi, G., Savitsky, P., Pilka, E., Bhatia, C., Smee, C., Berridge, G., von Delft, F., Wiegelt, J., Arrowsmith, C., Sundstrom, M., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-07-03
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2GDZ
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CRYSTAL STRUCTURE OF 15-HYDROXYPROSTAGLANDIN DEHYDROGENASE TYPE1, COMPLEXED WITH NAD+
Descriptor:NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Pilka, E.S., Guo, K., Kavanagh, K., Von Delft, F., Arrowsmith, C., Weigelt, J., Edwards, A., Sundstrom, M., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2006-03-17
Release date:2006-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
2QG4
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CRYSTAL STRUCTURE OF HUMAN UDP-GLUCOSE DEHYDROGENASE PRODUCT COMPLEX WITH UDP-GLUCURONATE
Descriptor:UDP-glucose 6-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID, ...
Authors:Kavanagh, K.L., Guo, K., Bunkoczi, G., Savitsky, P., Pilka, E., Bhatia, C., Niesen, F., Smee, C., Berridge, G., von Delft, F., Weigelt, J., Arrowsmith, C.H., Sundstrom, M., Edwards, A., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
2VZE
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH AMP
Descriptor:ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ...
Authors:Yue, W.W., Kochan, G.T., Pilka, E.S., Bhatia, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Wikstrom, M., Bountra, C., Oppermann, U.
Deposit date:2008-07-31
Release date:2008-10-14
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
2WD9
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN
Descriptor:ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, IBUPROFEN, ...
Authors:Yue, W.W., Kochan, G.T., Pilka, E.S., Bhatia, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U.
Deposit date:2009-03-21
Release date:2009-04-21
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
3C5E
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH ATP
Descriptor:Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, MAGNESIUM ION, ...
Authors:Pilka, E.S., Kochan, G.T., Bhatia, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-02-26
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
3DAY
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH AMP-CPP
Descriptor:Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, MAGNESIUM ION, ...
Authors:Pilka, E.S., Kochan, G.T., Yue, W.W., Bhatia, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Wikstrom, M., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2008-05-30
Release date:2008-07-15
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A.
J.Mol.Biol., 388, 2009
3EQ6
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN A TERNARY COMPLEX WITH PRODUCTS
Descriptor:Acyl-coenzyme A synthetase ACSM2A, ADENOSINE MONOPHOSPHATE, Butyryl Coenzyme A
Authors:Pilka, E.S., Kochan, G., Yue, W.W., Bhatia, C., Von delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2008-09-30
Release date:2008-10-28
Last modified:2016-02-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
3GPC
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CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN A COMPLEX WITH COA
Descriptor:Acyl-coenzyme A synthetase ACSM2A, MAGNESIUM ION, COENZYME A
Authors:Pilka, E.S., Kochan, G.T., Yue, W.W., Bhatia, C., Von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-03-23
Release date:2009-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A
J.Mol.Biol., 388, 2009
3K2O
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STRUCTURE OF AN OXYGENASE
Descriptor:Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, NICKEL (II) ION, SODIUM ION, ...
Authors:Krojer, T., McDonough, M.A., Clifton, I.J., Mantri, M., Ng, S.S., Pike, A.C.W., Butler, D.S., Webby, C.J., Kochan, G., Bhatia, C., Bray, J.E., Chaikuad, A., Gileadi, O., von Delft, F., Weigelt, J., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Schofield, C.J., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC)
Deposit date:2009-09-30
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
6HX1
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IRE1 ALPHA IN COMPLEX WITH IMIDAZO[1,2-B]PYRIDAZIN-8-AMINE COMPOUND 2
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
Authors:Augustin, M.A., Krapp, S., Bayliss, R., Collins, I.
Deposit date:2018-10-15
Release date:2019-02-27
Last modified:2019-03-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Binding to an Unusual Inactive Kinase Conformation by Highly Selective Inhibitors of Inositol-Requiring Enzyme 1 alpha Kinase-Endoribonuclease.
J.Med.Chem., 62, 2019
4Z7G
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CRYSTAL STRUCTURE OF HUMAN IRE1 CYTOPLASMIC KINASE-RNASE REGION - APO
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, SODIUM ION
Authors:Bayliss, R., Joshi, A.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
4Z7H
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CRYSTAL STRUCTURE OF HUMAN IRE1 CYTOPLASMIC KINASE-RNASE REGION - COMPLEX WITH IMIDAZOPYRIDINE COMPOUND 3
Descriptor:Serine/threonine-protein kinase/endoribonuclease IRE1, 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION
Authors:Joshi, A., Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015