Author results

6R7T
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CRYSTAL STRUCTURE OF HUMAN MELANOMA-ASSOCIATED ANTIGEN B1 (MAGEB1) IN COMPLEX WITH NANOBODY
Descriptor:anti MAGEB1 nanobody, Melanoma-associated antigen B1
Authors:Ye, M., Newman, J., Pike, A.C.W., Burgess-Brown, N., Cooper, C.D.O., Bountra, C., Arrowsmith, C., Edwards, A., Gileadi, O., von Delft, F.
Deposit date:2019-03-29
Release date:2019-05-01
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:Crystal Structure of Melanoma-associated antigen B1 (MAGEB1) in complex with nanobody
To Be Published
6QNV
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FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C
Descriptor:Tenascin
Authors:Coker, J.A., Bezerra, G.A., Bradshaw, W.J., Zhang, M., Yosaatmadja, Y., Fernandez-Cid, A., Shrestha, L., Burgess-Brown, N., Gileadi, O., Arrowsmith, C.H., Bountra, C., Midwood, K.S., Yue, W.W., Marsden, B.D., Structural Genomics Consortium (SGC)
Deposit date:2019-02-12
Release date:2019-02-27
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
6IBE
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THE FERM DOMAIN OF HUMAN EPB41L3
Descriptor:Band 4.1-like protein 3, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Bradshaw, W.J., Katis, V.L., Newman, J.A., Fernandez-Cid, A., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2018-11-29
Release date:2018-12-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The FERM domain of Human EPB41L3
To Be Published
6IBD
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THE PHOSPHATASE AND C2 DOMAINS OF HUMAN SHIP1
Descriptor:Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J., Williams, E.P., Fernandez-Cid, A., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2018-11-29
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The Phosphatase and C2 domains of Human SHIP1
To Be Published
6HRL
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KLHL17
Descriptor:Kelch-like protein 17, SULFATE ION, CHLORIDE ION, ...
Authors:Chen, Z., Williams, E., Sorrell, F.J., Newman, J.A., Shrestha, L., Burgess-Brown, N., von Delft, F., Arrowsmith, F., Edwards, C.H., Bountra, C., Bullock, A.N.
Deposit date:2018-09-27
Release date:2018-10-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the Kelch domain of human KLHL17
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
6GY5
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CRYSTAL STRUCTURE OF THE KELCH DOMAIN OF HUMAN KLHL20 IN COMPLEX WITH DAPK1 PEPTIDE
Descriptor:Kelch-like protein 20, Death-associated protein kinase 1, CHLORIDE ION, ...
Authors:Chen, Z., Hozjan, V., Strain-Damerell, C., Williams, E., Wang, D., Cooper, C.D.O., Sanvitale, C.E., Fairhead, M., Carpenter, E.P., Pike, A.C.W., Krojer, T., Srikannathasan, V., Sorrell, F., Johansson, C., Mathea, S., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-06-28
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.086 Å)
Cite:Crystal structure of the kelch domain of human KLHL20 in complex with DAPK1 peptide
To Be Published
6GY4
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CRYSTAL STRUCTURE OF THE N-TERMINAL KH DOMAIN OF HUMAN BICC1
Descriptor:Protein bicaudal C homolog 1, SULFATE ION, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ...
Authors:Newman, J.A., Katis, V.L., Shrestha, L., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.
Deposit date:2018-06-28
Release date:2018-07-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Crystal structure of the N-terminal KH domain of human BICC1
To Be Published
6GRU
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CRYSTAL STRUCTURE OF HUMAN NUDT5
Descriptor:ADP-sugar pyrophosphatase, MAGNESIUM ION, CHLORIDE ION, ...
Authors:Dubianok, Y., Collins, P., Krojer, T., Fairhead, M., MacLean, E., Diaz Saez, L., Strain-Damerell, C., Elkins, J., Burgess-Brown, N., Bountra, C., Arrowsmith, C.H., Edwards, A., Huber, K., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2018-06-12
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of human NUDT5
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
6GIP
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CRYSTAL STRUCTURE OF THE ACVR1 (ALK2) KINASE IN COMPLEX WITH A QUINAZOLINONE BASED ALK2 INHIBITOR WITH A 2, 5-DIMETHYL CORE.
Descriptor:Activin receptor type-1, 2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one, SULFATE ION, ...
Authors:Williams, E., Hudson, L., Bezerra, G.A., Sorrell, F., Mathea, S., Chen, Z., Mahajan, P., Kupinska, K., Hoelder, S., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-05-14
Release date:2018-05-23
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
6GIN
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CRYSTAL STRUCTURE OF THE ACVR1 (ALK2) KINASE IN COMPLEX WITH AN QUINAZOLINONE BASED ALK2 INHIBITOR WITH A 4-MORPHOLINOPHENYL SOLVENT ACCESSIBLE GROUP.
Descriptor:Activin receptor type-1, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, SULFATE ION, ...
Authors:Williams, E., Hudson, L., Bezerra, G.A., Kopec, J., Mahajan, P., Kupinska, K., Hoelder, S., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-05-14
Release date:2018-05-23
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
6GI6
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CRYSTAL STRUCTURE OF THE ACVR1 (ALK2) KINASE IN COMPLEX WITH A QUINAZOLINONE BASED ALK2 INHIBITOR WITH A 5-METHYL CORE.
Descriptor:Activin receptor type-1, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, SULFATE ION, ...
Authors:Williams, E., Hudson, L., Bezerra, G.A., Sorrell, F., Mahajan, P., Kupinska, K., Hoelder, S., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.N.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2018-09-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
6G5P
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CRYSTAL STRUCTURE OF HUMAN SP100 IN COMPLEX WITH BROMODOMAIN-FOCUSED FRAGMENT FM009493B 2,3-DIMETHOXY-2,3-DIMETHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-6-AMINE
Descriptor:Nuclear autoantigen Sp-100, ZINC ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Talon, R.P.H., Krojer, T., Tallant, C., Nunez-Alonso, G., Fairhead, M., Szykowska, A., Collins, P., Pearce, N.M., Ng, J., MacLean, E., Wright, N., Douangamath, A., Brandao-Neto, J., Burgess-Brown, N., Huber, K., Knapp, S., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
6G5N
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CRYSTAL STRUCTURE OF HUMAN SP100 IN COMPLEX WITH BROMODOMAIN-FOCUSED FRAGMENT XS039818E 1-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHANAMINE
Descriptor:Nuclear autoantigen Sp-100, ZINC ION, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Talon, R.P.H., Krojer, T., Tallant, C., Nunez-Alonso, G., Fairhead, M., Szykowska, A., Collins, P., Pearce, N.M., Ng, J., MacLean, E., Wright, N., Douangamath, A., Brandao-Neto, J., Burgess-Brown, N., Huber, K., Knapp, S., Brennan, P.E., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F.
Deposit date:2018-03-29
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
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
6FWZ
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CRYSTAL STRUCTURE OF HUMAN UDP-N-ACETYLGLUCOSAMINE-DOLICHYL-PHOSPHATE N-ACETYLGLUCOSAMINEPHOSPHOTRANSFERASE (DPAGT1) (V264G MUTANT) IN COMPLEX WITH UDP-GLCNAC
Descriptor:UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, MAGNESIUM ION, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE, ...
Authors:Pike, A.C.W., Dong, Y.Y., Chu, A., Tessitore, A., Goubin, S., Dong, L., Mukhopadhyay, S., Mahajan, P., Chalk, R., Berridge, G., Wang, D., Kupinska, K., Belaya, K., Beeson, D., Burgess-Brown, N., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Carpenter, E.P., Structural Genomics Consortium (SGC)
Deposit date:2018-03-07
Release date:2018-07-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
To Be Published
6FM9
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CRYSTAL STRUCTURE OF HUMAN UDP-N-ACETYLGLUCOSAMINE-DOLICHYL-PHOSPHATE N-ACETYLGLUCOSAMINEPHOSPHOTRANSFERASE (DPAGT1)
Descriptor:UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
Authors:Pike, A.C.W., Dong, Y.Y., Chu, A., Tessitore, A., Goubin, S., Dong, L., Mukhopadhyay, S., Mahajan, P., Chalk, R., Berridge, G., Wang, D., Kupinska, K., Belaya, K., Beeson, D., Burgess-Brown, N., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Carpenter, E.P., Structural Genomics Consortium (SGC)
Deposit date:2018-01-30
Release date:2018-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1)
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
5T3P
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CRYSTAL STRUCTURE OF HUMAN PEROXISOMAL COENZYME A DIPHOSPHATASE NUDT7
Descriptor:Peroxisomal coenzyme A diphosphatase NUDT7, 1,2-ETHANEDIOL
Authors:Srikannathasan, V., Nunez, C.A., Tallant, C., Siejka, P., Mathea, S., Kopec, J., Elkins, J.M., Burgess-Brown, N., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Huber, K.
Deposit date:2016-08-26
Release date:2017-09-13
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of Human Peroxisomal coenzyme A diphosphatase NUDT7
To Be Published
5QPC
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CRYSTAL STRUCTURE OF DCP2 (NUDT20) AFTER INITIAL REFINEMENT WITH NO LIGAND MODELLED (STRUCTURE $N)
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
5QPB
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000701A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QPA
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH FMOPL000449A
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP9
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH Z100435060
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:PanDDA analysis group deposition
To Be Published
5QP8
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PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF DCP2 (NUDT20) IN COMPLEX WITH PB1787571279
Descriptor:DCP2 (NUDT20), 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Nelson, E.R., Velupillai, S., Talon, R., Collins, P.M., Krojer, T., Wang, D., Brandao-Neto, J., Douangamath, A., Burgess-Brown, N., Arrowsmith, C.H., Bountra, C., Huber, K., von Delft, F.
Deposit date:2019-02-22
Release date:2019-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:PanDDA analysis group deposition
To Be Published