Author results

2XIK
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STRUCTURE OF HUMAN YSK1 (YEAST SPS1-STE20-RELATED KINASE 1)
Descriptor:SERINE/THREONINE PROTEIN KINASE 25, 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
Authors:Muniz, J.R.C., Rellos, P., Ugochukwu, E., Vollmar, M., Allerston, C., Chaikuad, A., Savitsky, P., Berridge, G., Brenner, B., Elkins, J.M., Daga, N., Gileadi, O., Mahajan, P., Shrestha, B., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Human Ysk1 (Yeast Sps1-Ste20-Related Kinase 1)
To be Published
4B9D
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CRYSTAL STRUCTURE OF HUMAN NIMA-RELATED KINASE 1 (NEK1) WITH INHIBITOR.
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK1, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE, CHLORIDE ION, ...
Authors:Elkins, J.M., Hanchuk, T.D.M., Lovato, D.V., Basei, F.L., Meirelles, G.V., Kobarg, J., Szklarz, M., Vollmar, M., Mahajan, P., Rellos, P., Zhang, Y., Krojer, T., Pike, A.C.W., Canning, P., von Delft, F., Raynor, J., Bountra, C., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Nima-Related Kinase 1 (Nek1) with Inhibitor.
To be Published
4DYM
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CRYSTAL STRUCTURE OF THE ACVR1 KINASE DOMAIN IN COMPLEX WITH THE IMIDAZO[1,2-B]PYRIDAZINE INHIBITOR K00135
Descriptor:Activin receptor type-1, SULFATE ION, 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, ...
Authors:Chaikuad, A., Sanvitale, C., Cooper, C., Canning, P., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Gileadi, O., Fedorov, O., Krojer, T., Filippakopoulos, P., Muniz, J.R.C., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-21
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
4FR4
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CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE-PROTEIN KINASE 32A (YANK1)
Descriptor:Serine/threonine-protein kinase 32A, STAUROSPORINE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Elkins, J.M., Krojer, T., Mahajan, P., Goubin, S., Szklarz, M., Tumber, A., Wang, J., Savitsky, P., Shrestha, B., Daga, N., Picaud, S., Fedorov, O., Allerston, C.K., Latwiel, S.V.A., Vollmar, M., Canning, P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
2X4F
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THE CRYSTAL STRUCTURE OF THE HUMAN MYOSIN LIGHT CHAIN KINASE LOC340156.
Descriptor:MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, SULFATE ION, ...
Authors:Muniz, J.R.C., Mahajan, P., Rellos, P., Fedorov, O., Shrestha, B., Wang, J., Elkins, J.M., Daga, N., Cocking, R., Chaikuad, A., Krojer, T., Ugochukwu, E., Yue, W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Gileadi, O., Knapp, S.
Deposit date:2010-01-29
Release date:2010-02-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156
To be Published
2X7F
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CRYSTAL STRUCTURE OF THE KINASE DOMAIN OF HUMAN TRAF2- AND NCK- INTERACTING KINASE WITH WEE1CHK1 INHIBITOR
Descriptor:TRAF2 AND NCK-INTERACTING PROTEIN KINASE, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION
Authors:Vollmar, M., Alfano, I., Shrestha, B., Bray, J., Muniz, J.R.C., Roos, A., Filippakopoulos, P., Burgess-Brown, N., Ugochukwu, E., Gileadi, O., Phillips, C., Mahajan, P., Pike, A.C.W., Fedorov, O., Chaikuad, A., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S.
Deposit date:2010-02-26
Release date:2010-07-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor
To be Published
3GVU
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THE CRYSTAL STRUCTURE OF HUMAN ABL2 IN COMPLEX WITH GLEEVEC
Descriptor:Tyrosine-protein kinase ABL2, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
Authors:Ugochukwu, E., Salah, E., Barr, A., Mahajan, P., Shrestha, B., Savitsky, P., Chaikuad, A., Filippakopoulos, P., Roos, A., Pike, A.C.W., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2009-03-31
Release date:2009-04-21
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The crystal structure of human ABL2 in complex with GLEEVEC
To be Published
3HMI
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THE CRYSTAL STRUCTURE OF HUMAN ABL2 IN COMPLEX WITH 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
Descriptor:Tyrosine-protein kinase ABL2, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
Authors:Ugochukwu, E., Salah, E., Barr, A., Mahajan, P., Shrestha, B., Savitsky, P., Chaikuad, A., Allerston, C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2009-05-29
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
To be Published
3I3N
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CRYSTAL STRUCTURE OF THE BTB-BACK DOMAINS OF HUMAN KLHL11
Descriptor:Kelch-like protein 11, THIOCYANATE ION, CHLORIDE ION
Authors:Murray, J.W., Cooper, C.D.O., Krojer, T., Mahajan, P., Salah, E., Keates, T., Savitsky, P., Pike, A.C.W., Roos, A., Muniz, J., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the BTB-BACK domains of human KLHL11
To be Published
3S95
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CRYSTAL STRUCTURE OF THE HUMAN LIMK1 KINASE DOMAIN IN COMPLEX WITH STAUROSPORINE
Descriptor:LIM domain kinase 1, STAUROSPORINE, SODIUM ION, ...
Authors:Beltrami, A., Chaikuad, A., Daga, N., Elkins, J.M., Mahajan, P., Savitsky, P., Vollmar, M., Krojer, T., Muniz, J.R.C., Fedorov, O., Allerston, C.K., Yue, W.W., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human LIMK1 kinase domain in complex with staurosporine
To be Published
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
3ZOS
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STRUCTURE OF THE DDR1 KINASE DOMAIN IN COMPLEX WITH PONATINIB
Descriptor:EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, 1,2-ETHANEDIOL
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Bradley, A., Coutandin, D., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-02-22
Release date:2013-05-01
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
4APC
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CRYSTAL STRUCTURE OF HUMAN NIMA-RELATED KINASE 1 (NEK1)
Descriptor:SERINE/THREONINE-PROTEIN KINASE NEK1, CHLORIDE ION
Authors:Elkins, J.M., Hanchuk, T.D.M., Lovato, D.V., Basei, F.L., Meirelles, G.V., Kobarg, J., Szklarz, M., Vollmar, M., Mahajan, P., Rellos, P., Zhang, Y., Krojer, T., Pike, A.C.W., Bountra, C., Arrowsmith, C., Edwards, A., Knapp, S.
Deposit date:2012-04-02
Release date:2012-04-25
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Human Nima-Related Kinase 1
To be Published
4ASX
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CRYSTAL STRUCTURE OF ACTIVIN RECEPTOR TYPE-IIA (ACVR2A) KINASE DOMAIN IN COMPLEX WITH DIHYDRO-BAUERINE C
Descriptor:ACTIVIN RECEPTOR TYPE-2A, 7,8-bis(chloranyl)-9-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one, 1,2-ETHANEDIOL
Authors:Williams, E., Chaikuad, A., Canning, P., Kochan, G., Mahajan, P., Cooper, C.D.O., Beltrami, A., Krojer, T., Pohl, B., Bracher, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.
Deposit date:2012-05-03
Release date:2012-05-23
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Activin Receptor Type-Iia (Acvr2A) Kinase Domain in Complex with a Beta- Carboline Inhibitor
To be Published
4BBM
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CRYSTAL STRUCTURE OF THE HUMAN CDKL2 KINASE DOMAIN WITH BOUND TCS 2312
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 2, 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL, CHLORIDE ION, ...
Authors:Canning, P., Elkins, J.M., Cooper, C.D.O., Mahajan, P., Daga, N., Berridge, G., Burgess-Brown, N., Muniz, J.R.C., Krojer, T., Arrowsmith, C.H., Edwards, A.M., Bountra, C., von Delft, F., Bullock, A.
Deposit date:2012-09-26
Release date:2012-10-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Cdkl2 Kinase Domain with Bound Tcs 2312
To be Published
4BGQ
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CRYSTAL STRUCTURE OF THE HUMAN CDKL5 KINASE DOMAIN
Descriptor:CYCLIN-DEPENDENT KINASE-LIKE 5, SODIUM ION, [4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile, ...
Authors:Canning, P., Krojer, T., Goubin, S., Mahajan, P., Vollmar, M., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-03-28
Release date:2013-05-08
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Human Cdkl5 Kinase Domain
To be Published
4BKJ
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CRYSTAL STRUCTURE OF THE HUMAN DDR1 KINASE DOMAIN IN COMPLEX WITH IMATINIB
Descriptor:EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, 1,2-ETHANEDIOL
Authors:Canning, P., Elkins, J.M., Goubin, S., Mahajan, P., Krojer, T., Vollmar, M., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2013-04-25
Release date:2013-05-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Mechanisms Determining Inhibition of the Collagen Receptor Ddr1 by Selective and Multi-Targeted Type II Kinase Inhibitors
J.Mol.Biol., 426, 2014
3MDY
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CRYSTAL STRUCTURE OF THE CYTOPLASMIC DOMAIN OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE-1B (BMPR1B) IN COMPLEX WITH FKBP12 AND LDN-193189
Descriptor:Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A, 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Authors:Chaikuad, A., Sanvitale, C., Mahajan, P., Daga, N., Cooper, C., Krojer, T., Alfano, I., Knapp, S., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
3OOM
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CRYSTAL STRUCTURE OF THE ACVR1 KINASE DOMAIN IN COMPLEX WITH THE IMIDAZO[1,2-B]PYRIDAZINE INHIBITOR K00507
Descriptor:Activin receptor type-1, PHOSPHATE ION, 1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone, ...
Authors:Chaikuad, A., Sanvitale, C., Cooper, C., Mahajan, P., Daga, N., Petrie, K., Alfano, I., Gileadi, O., Fedorov, O., Allerston, C., Krojer, T., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2010-08-31
Release date:2010-10-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00507
To be Published
3SOC
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CRYSTAL STRUCTURE OF ACTIVIN RECEPTOR TYPE-IIA (ACVR2A) KINASE DOMAIN IN COMPLEX WITH A QUINAZOLIN
Descriptor:Activin receptor type-2A, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Williams, E., Mahajan, P., Cooper, C.D.O., Sanvitale, C., Vollmar, M., Muniz, J.R.C., Yue, W.W., von Delft, F., Weigelt, J., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a quinazolin
To be Published
4B87
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CRYSTAL STRUCTURE OF HUMAN DNA CROSS-LINK REPAIR 1A
Descriptor:DNA CROSS-LINK REPAIR 1A PROTEIN, ZINC ION, 1,2-ETHANEDIOL
Authors:Allerston, C.K., Berridge, G., Carpenter, E.P., Kochan, G., Krojer, T., Mahajan, P., Vollmar, M., Yue, W.W., Arrowsmith, C.H., Edwards, A., Bountra, C., von Delft, F., Gileadi, O.
Deposit date:2012-08-24
Release date:2012-11-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of Human DNA Cross-Link Repair 1A
To be Published
4J5L
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STRUCTURE OF THE CARGO BINDING DOMAIN FROM HUMAN MYOSIN VA
Descriptor:Unconventional myosin-Va, SULFATE ION
Authors:Nascimento, A.F.Z., Trindade, D.M., Tonoli, C.C.C., Assis, L.H.P., Mahajan, P., Berridge, G., Krojer, T., Vollmar, M., Burgess-Brown, N., von Delft, F., Murakami, M.T.
Deposit date:2013-02-08
Release date:2013-10-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
4J5M
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STRUCTURE OF THE CARGO BINDING DOMAIN FROM HUMAN MYOSIN VB
Descriptor:Unconventional myosin-Vb, NITRATE ION
Authors:Nascimento, A.F.Z., Trindade, D.M., Mahajan, P., Berridge, G., Krojer, T., Vollmar, M., Tonoli, C.C.C., Assis, L.H.P., Burgess-Brown, N., von Delft, F., Murakami, M.T.
Deposit date:2013-02-08
Release date:2013-10-09
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
4L8T
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STRUCTURE OF THE CARGO BINDING DOMAIN FROM HUMAN MYOSIN VC
Descriptor:Unconventional myosin-Vc
Authors:Nascimento, A.F.Z., Tonoli, C.C.C., Trindade, D.M., Assis, L.H.P., Mahajan, P., Berridge, G., Krojer, T., Burgess-Brown, N., von Delft, F., Murakami, M.T.
Deposit date:2013-06-17
Release date:2013-10-09
Last modified:2013-12-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Insights into Functional Overlapping and Differentiation among Myosin V Motors.
J.Biol.Chem., 288, 2013
5CLT
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CRYSTAL STRUCTURE OF HUMAN GLYCOGEN BRANCHING ENZYME (GBE1) IN COMPLEX WITH ACARBOSE
Descriptor:1,4-alpha-glucan-branching enzyme, ALPHA-ACARBOSE
Authors:Krojer, T., Froese, D.S., Goubin, S., Strain-Damerell, C., Mahajan, P., Burgess-Brown, N., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Yue, W., Structural Genomics Consortium (SGC)
Deposit date:2015-07-16
Release date:2015-08-12
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
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