Author results

5L76
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE DOMAIN (IN APO FORM)
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Kopec, J., Pena, I.A., Rembeza, E., Strain-Damerell, C., Chalk, R., Borkowska, O., Goubin, S., Velupillai, S., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., Arruda, P., Yue, W.W.
Deposit date:2016-06-02
Release date:2017-05-10
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in apo form)
To Be Published
5NLB
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CRYSTAL STRUCTURE OF HUMAN CUL3 N-TERMINAL DOMAIN BOUND TO KEAP1 BTB AND 3-BOX
Descriptor:Kelch-like ECH-associated protein 1, Cullin-3
Authors:Adamson, R., Krojer, T., Pinkas, D.M., Bartual, S.G., Burgess-Brown, N.A., Borkowska, O., Chalk, R., Newman, J.A., Kopec, J., Dixon-Clarke, S.E., Mathea, S., Sethi, R., Velupillai, S., Mackinnon, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2017-04-04
Release date:2017-04-19
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structure of human CUL3 N-terminal domain bound to KEAP1 BTB and 3-box
To Be Published
5OCH
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THE CRYSTAL STRUCTURE OF HUMAN ABCB8 IN AN OUTWARD-FACING STATE
Descriptor:ATP-binding cassette sub-family B member 8, mitochondrial, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Faust, B., Pike, A.C.W., Shintre, C.A., Quiqley, A.M., Chu, A., Barr, A., Shrestha, L., Mukhopadhyay, S., Borkowska, O., Chalk, R., Burgess-Brown, N.A., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Carpenter, E.P., Structural Genomics Consortium (SGC)
Deposit date:2017-06-30
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The crystal structure of human ABCB8 in an outward-facing state
To Be Published
6FCX
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STRUCTURE OF HUMAN 5,10-METHYLENETETRAHYDROFOLATE REDUCTASE (MTHFR)
Descriptor:Methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Kopec, J., Bezerra, G.A., Oberholzer, A.E., Rembeza, E., Sorrell, F.J., Chalk, R., Borkowska, O., Ellis, K., Kupinska, K., Krojer, T., Burgess-Brown, N., Von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Froese, D.S., Baumgartner, M., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2017-12-21
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
6QD5
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X-RAY STRUCTURE OF THE HUMAN UREA CHANNEL SLC14A1/UT1
Descriptor:Urea transporter 1, B-OCTYLGLUCOSIDE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dietz, L., Chi, G., Pike, A.C.W., Moreau, C., Man, H., Snee, M., Scacioc, A., Shrestha, L., Mukhopadhyay, S.M.M., Mckinley, G., Ellis, K., Kliszcak, M., Chalk, R., Borkowska, O., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Durr, K.L., Structural Genomics Consortium (SGC)
Deposit date:2018-12-31
Release date:2019-01-09
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:X-ray Structure of the Human Urea Channel SLC14A1/UT1
To Be Published
6R65
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CRYSTAL STRUCTURE OF HUMAN TMEM16K / ANOCTAMIN 10 (FORM 2)
Descriptor:Anoctamin-10, CALCIUM ION
Authors:Bushell, S.R., Pike, A.C.W., Chu, A., Tessitore, A., Rotty, B., Mukhopadhyay, S., Kupinska, K., Shrestha, L., Borkowska, O., Chalk, R., Burgess-Brown, N.A., Love, J., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Carpenter, E.P., Structural Genomics Consortium (SGC)
Deposit date:2019-03-26
Release date:2019-05-01
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal Structure of human TMEM16K / Anoctamin 10 (Form 2)
TO BE PUBLISHED
5FDP
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STRUCTURE OF DDR1 RECEPTOR TYROSINE KINASE IN COMPLEX WITH D2099 INHIBITOR AT 2.25 ANGSTROMS RESOLUTION.
Descriptor:Epithelial discoidin domain-containing receptor 1, (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Bartual, S.G., Pinkas, D.M., Wang, Z., Ding, K., Mahajan, P., Kupinska, K., Mukhopadhyay, S., Strain-Damerell, C., Borkowska, O., Talon, R., Kopec, J., Williams, E., Tallant, C., Chaikuad, A., Sorell, F., Newman, J., Burgess-Brown, N., Arrowsmith, C.H., von Delft, F., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-06-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J.Med.Chem., 59, 2016
5FDX
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STRUCTURE OF DDR1 RECEPTOR TYROSINE KINASE IN COMPLEX WITH D2164 INHIBITOR AT 2.65 ANGSTROMS RESOLUTION.
Descriptor:Epithelial discoidin domain-containing receptor 1, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, 1,2-ETHANEDIOL, ...
Authors:Bartual, S.G., Pinkas, D.M., Wang, Z., Ding, K., Mahajan, P., Kupinska, K., Mukhopadhyay, S., Strain-Damerell, C., Chalk, R., Borkowska, O., Talon, R., Kopec, J., Williams, E., Tallant, C., Chaikuad, A., Sorell, F., Newman, J., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-10-26
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
5L78
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE DOMAIN (IN NAD+ BOUND FORM)
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Kopec, J., Pena, I.A., Rembeza, E., Strain-Damerell, C., Chalk, R., Borkowska, O., Goubin, S., Velupillai, S., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., Arruda, P., Yue, W.W.
Deposit date:2016-06-02
Release date:2017-05-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain (in NAD+ bound form)
To Be Published
5NKS
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HUMAN DIHYDROPYRIMIDINASE-RELATED PROTEIN 4 (DPYSL4, CRMP3, ULIP-4)
Descriptor:Dihydropyrimidinase-related protein 4
Authors:Mathea, S., Elkins, J.M., Strain-Damerell, C., Salah, E., Borkowska, O., Chalk, R., Burgess-Brown, N., Pinkas, D.M., von Delft, F., Krojer, T., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S.
Deposit date:2017-03-31
Release date:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
To Be Published
5O26
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A DIPHOSPHORYLATED STATE AND IN COMPLEX WITH AMP-PNP/MG2+
Descriptor:Serine/threonine-protein kinase WNK3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Pinkas, D.M., Bufton, J.C., Newman, J.A., Kopec, J., Borkowska, O., Chalk, R., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.379 Å)
Cite:Crystal structure of WNK3 kinase domain in a diphosphorylated state and in complex with AMP-PNP/Mg2+
To Be Published
5O2B
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CRYSTAL STRUCTURE OF WNK3 KINASE DOMAIN IN A DIPHOSPHORYLATED STATE AND IN A COMPLEX WITH THE INHIBITOR PP-121
Descriptor:Serine/threonine-protein kinase WNK3, 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, SODIUM ION
Authors:Pinkas, D.M., Bufton, J.C., Newman, J.A., Borkowska, O., Chalk, R., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2017-07-19
Method:X-RAY DIFFRACTION (2.038 Å)
Cite:Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
To Be Published
5OC9
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CRYSTAL STRUCTURE OF HUMAN TMEM16K / ANOCTAMIN 10
Descriptor:Anoctamin-10, CALCIUM ION, (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
Authors:Bushell, S.R., Pike, A.C.W., Chu, A., Tessitore, A., Rotty, B., Mukhopadhyay, S., Kupinska, K., Shrestha, L., Borkowska, O., Chalk, R., Burgess-Brown, N.A., Love, J., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Carpenter, E.P., Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2018-07-25
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of human TMEM16K / Anoctamin 10
TO BE PUBLISHED
6FNU
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STRUCTURE OF S. CEREVISIAE METHYLENETETRAHYDROFOLATE REDUCTASE 1, CATALYTIC DOMAIN
Descriptor:Methylenetetrahydrofolate reductase 1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Kopec, J., Rembeza, E., Bezerra, G.A., Newman, J., Bountra, C., Froese, D.S., Baumgartner, M., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2018-02-05
Release date:2018-03-07
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018