Author results

6QJE
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STRUCTURE OF HUMAN GALACTOKINASE 1 BOUND WITH 4-{[2-(METHYLSULFONYL)-1H-IMIDAZOL-1-YL]METHYL}-1,3-THIAZOLE
Descriptor:Galactokinase, BETA-D-GALACTOSE, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, ...
Authors:Mackinnon, S.R., Bezerra, G.A., Zhang, M., Foster, W., Krojer, T., Brandao-Neto, J., Douangamath, A., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., Lai, K., Yue, W.W.
Deposit date:2019-01-24
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
To Be Published
6Q91
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STRUCTURE OF HUMAN GALACTOKINASE 1 BOUND WITH 5-CHLORO-N-ISOBUTYL-2-METHOXYBENZAMIDE
Descriptor:Galactokinase, BETA-D-GALACTOSE, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, ...
Authors:Mackinnon, S.R., Bezerra, G.A., Zhang, M., Foster, W., Krojer, T., Brandao-Neto, J., Douangamath, A., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., Lai, K., Yue, W.W.
Deposit date:2018-12-17
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 5-Chloro-N-isobutyl-2-methoxybenzamide
To Be Published
6Q8Z
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STRUCTURE OF HUMAN GALACTOKINASE 1 BOUND WITH N-(CYCLOBUTYLMETHYL)-1,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXAMIDE
Descriptor:Galactokinase, BETA-D-GALACTOSE, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, ...
Authors:Mackinnon, S.R., Bezerra, G.A., Zhang, M., Foster, W., Krojer, T., Brandao-Neto, J., Douangamath, A., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., Lai, K., Yue, W.W.
Deposit date:2018-12-16
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide
To Be Published
6Q90
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STRUCTURE OF HUMAN GALACTOKINASE 1 BOUND WITH 1-(4-METHOXYPHENYL)-3-(4-PYRIDINYL)UREA
Descriptor:Galactokinase, BETA-D-GALACTOSE, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, ...
Authors:Mackinnon, S.R., Bezerra, G.A., Zhang, M., Foster, W., Krojer, T., Brandao-Neto, J., Douangamath, A., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., Lai, K., Yue, W.W.
Deposit date:2018-12-16
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
To Be Published
6Q3W
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STRUCTURE OF HUMAN GALACTOKINASE 1 BOUND WITH ETHYL 1-(2-PYRAZINYL)-4-PIPERIDINECARBOXYLATE
Descriptor:Galactokinase, BETA-D-GALACTOSE, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, ...
Authors:Mackinnon, S.R., Bezerra, G.A., Zhang, M., Foster, W., Krojer, T., Brandao-Neto, J., Douangamath, A., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., Lai, K., Yue, W.W.
Deposit date:2018-12-04
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Structure of human galactokinase 1 bound with Ethyl 1-(2-pyrazinyl)-4-piperidinecarboxylate
To Be Published
6I2Y
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HUMAN STK10 BOUND TO FORETINIB
Descriptor:Serine/threonine-protein kinase 10, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Sorrell, F.J., Berger, B.-T., Oerum, S., von Delft, F., Bountra, C., Arrowsmith, C., Edwards, A.M., Knapp, S., Elkins, J.M.
Deposit date:2018-11-02
Release date:2018-12-12
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Human STK10 bound to GW683134
To Be Published
6HXF
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HUMAN STK10 BOUND TO A MALEIMIDE INHIBITOR
Descriptor:Serine/threonine-protein kinase 10, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, 1,2-ETHANEDIOL, ...
Authors:Sorrell, F.J., Salah, E., Serafim, R.A.M., Savitsky, P.A., Krojer, T., Bailey, H.J., Pinkas, D., Burgess-Brown, N.A., von Delft, F., Knapp, S., Arrowsmith, C., Bountra, C., Edwards, A.M., Elkins, J.M.
Deposit date:2018-10-17
Release date:2018-10-31
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Human STK10 bound to a maleimide inhibitor
To Be Published
6HVD
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HUMAN SLK BOUND TO A MALEIMIDE INHIBITOR
Descriptor:STE20-like serine/threonine-protein kinase, 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, ...
Authors:Sorrell, F.J., Berger, B.T., Salah, E., Serafim, R.A.M., Savitsky, P.A., Krojer, T., Bailey, H.J., Pinkas, D., Burgess-Brown, N.A., von Delft, F., Knapp, S., Arrowsmith, C., Bountra, C., Edwards, A.M., Elkins, J.M.
Deposit date:2018-10-10
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human SLK bound to a maleimide inhibitor
To Be Published
6HRH
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STRUCTURE OF HUMAN ERYTHROID-SPECIFIC 5'-AMINOLEVULINATE SYNTHASE, ALAS2
Descriptor:5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
Authors:Bailey, H.J., Shrestha, L., Rembeza, E., Newman, J., Kupinska, K., Diaz-saez, L., Kennedy, E., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2018-09-27
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2
To Be Published
6HK6
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HUMAN RIOK2 BOUND TO INHIBITOR
Descriptor:Serine/threonine-protein kinase RIO2, 2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide, CHLORIDE ION, ...
Authors:Wang, J., Krojer, T., Bountra, C., Edwards, A.M., Arrowsmith, C., Knapp, S., Elkins, J.M.
Deposit date:2018-09-05
Release date:2018-10-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:RIOK2 bound to inhibitor
To Be Published
6GTT
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HUMAN STK10 BOUND TO BIRB-796
Descriptor:Serine/threonine-protein kinase 10, 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA
Authors:Berger, B.T., Sorrell, F.J., von Delft, F., Bountra, C., Knapp, S., Edwards, A.M., Arrowsmith, C., Elkins, J.M.
Deposit date:2018-06-19
Release date:2018-06-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:STK10 bound to BIRB-796
To Be Published
6GRO
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HUMAN CSNK1G3 BOUND TO SB-223133
Descriptor:Casein kinase I isoform gamma-3, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Szklarz, M., Vollmar, M., von Delft, F., Bountra, C., Knapp, S., Edwards, A.M., Arrowsmith, C., Elkins, J.M.
Deposit date:2018-06-12
Release date:2018-06-20
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:CSNK1G3 bound to SB-223133
To Be Published
6GQD
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STRUCTURE OF HUMAN GALACTOSE-1-PHOSPHATE URIDYLYLTRANSFERASE (GALT), WITH CRYSTALLIZATION EPITOPE MUTATIONS A21Y:A22T:T23P:R25L
Descriptor:Galactose-1-phosphate uridylyltransferase, ZINC ION, 1,2-ETHANEDIOL, ...
Authors:Fairhead, M., Strain-Damerell, C., Kopec, J., Bezerra, G.A., Zhang, M., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2018-06-07
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L
To Be Published
6G4Q
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STRUCTURE OF HUMAN ADP-FORMING SUCCINYL-COA LIGASE COMPLEX SUCLG1-SUCLA2
Descriptor:Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial, Succinate--CoA ligase [ADP-forming] subunit beta, ...
Authors:Bailey, H.J., Shrestha, L., Rembeza, E., Sorrell, F.J., Newman, J., Strain-Damerell, C., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Edwards, A., Bountra, C., Yue, W.W.
Deposit date:2018-03-28
Release date:2018-04-11
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
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
6B3N
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SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE EFFECTOR NLEG5-1 FROM ESCHERICHIA COLI O157:H7 STR. SAKAI
Descriptor:NleG5-1
Authors:Valleau, D., Houliston, S., Lemak, A., Anderson, W.F., Arrowsmith, C., Savchenko, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-09-22
Release date:2017-11-22
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai
To Be Published
6EIM
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HUMAN STK10 BOUND TO GW683134A
Descriptor:Serine/threonine-protein kinase 10, 1,2-ETHANEDIOL, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide
Authors:Sorrell, F.J., Berger, B.-T., Salah, E., von Delft, F., Bountra, C., Arrowsmith, C., Edwards, A.M., Knapp, S., Elkins, J.M.
Deposit date:2017-09-19
Release date:2017-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Human STK10 bound to GW683134
To Be Published
5OWQ
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HUMAN STK10 BOUND TO DOVITINIB
Descriptor:Serine/threonine-protein kinase 10, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one
Authors:Szklarz, M., von Delft, F., Bountra, C., Knapp, S., Edwards, A.M., Arrowsmith, C., Elkins, J.M.
Deposit date:2017-09-04
Release date:2017-09-13
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human STK10 bound to dovitinib
To Be Published
5OWR
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HUMAN STK10 BOUND TO DASATINIB
Descriptor:Serine/threonine-protein kinase 10, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, CALCIUM ION
Authors:Szklarz, M., Muniz, J.R.C., Vollmar, M., von Delft, F., Bountra, C., Knapp, S., Edwards, A.M., Arrowsmith, C., Elkins, J.M.
Deposit date:2017-09-04
Release date:2017-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human STK10 bound to dasatinib
To Be Published
5WOF
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1.65 ANGSTROM STRUCTURE OF THE DYNEIN LIGHT CHAIN 1 FROM PLASMODIUM FALCIPARUM
Descriptor:Dynein light chain 1, putative
Authors:Walker, J.R., Lew, J., Amani, M., Alam, Z., Wasney, G., Boulanger, K., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Hui, R., Botchkarev, A., Vedadi, M., Structural Genomics Consortium (SGC)
Deposit date:2017-08-02
Release date:2017-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Genome-scale Protein Expression and Structural Biology of Plasmodium Falciparum and Related Apicomplexan Organisms.
MOL.BIOCHEM.PARASITOL., 151, 2007
5O2D
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PARP14 MACRODOMAIN 2 WITH INHIBITOR
Descriptor:Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide
Authors:Uth, K., Schuller, M., Sieg, C., Wang, J., Krojer, T., Knapp, S., Riedels, K., Bracher, F., Edwards, A.M., Arrowsmith, C., Bountra, C., Elkins, J.M., Structural Genomics Consortium (SGC)
Deposit date:2017-05-20
Release date:2017-11-08
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
5O1N
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE DOMAIN WITH N-[(2S)-2-PYRROLIDINYLMETHYL]-TRIFLUOROMETHANESULFONAMIDE BOUND
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,1,1-tris(fluoranyl)-~{N}-[[(2~{S})-pyrrolidin-2-yl]methyl]methanesulfonamide, ...
Authors:Kopec, J., Rembeza, E., Pena, I.A., Strain-Damerell, C., Goubin, S., Sethi, R., Velupillai, S., Talon, R., Collins, P., Krojer, T., McLaughlin, M., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., Brennan, P., von Delft, F., Arruda, P., Yue, W.W.
Deposit date:2017-05-18
Release date:2017-05-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
To Be Published
5O1O
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE DOMAIN WITH PROLINE BOUND.
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Kopec, J., Rembeza, E., Pena, I.A., Mathea, S., Velupillai, S., Strain-Damerell, C., Goubin, S., Kupinska, K., Talon, R., Collins, P., Krojer, T., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., von Delft, F., Arruda, P., Yue, W.W.
Deposit date:2017-05-18
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with proline bound.
To Be Published
5O1P
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CRYSTAL STRUCTURE OF HUMAN AMINOADIPATE SEMIALDEHYDE SYNTHASE, SACCHAROPINE DEHYDROGENASE.
Descriptor:Alpha-aminoadipic semialdehyde synthase, mitochondrial, 1,2-ETHANEDIOL, ...
Authors:Kopec, J., Rembeza, E., Pena, I.A., Williams, E., Velupillai, S., Kupinska, K., Strain-Damerell, C., Goubin, S., Talon, R., Collins, P., Krojer, T., Burgess-Brown, N., Arrowsmith, C., Edwards, A., Bountra, C., von Delft, F., Arruda, P., Yue, W.W.
Deposit date:2017-05-18
Release date:2017-06-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase.
To Be Published
5VGC
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CRYSTAL STRUCTURE OF THE NLEG5-1 EFFECTOR (C200A) FROM ESCHERICHIA COLI O157:H7 STR. SAKAI
Descriptor:NleG5-1 effector, CALCIUM ION, CHLORIDE ION, ...
Authors:Borek, D., Valleau, D., Skarina, T., Jobin, M.C., Wawrzak, Z., Anderson, W.F., Savchenko, A., Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-04-10
Release date:2018-04-18
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the NleG5-1 effector (C200A) from Escherichia coli O157:H7 str. Sakai
To Be Published