Author results

2VSP
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CRYSTAL STRUCTURE OF THE FOURTH PDZ DOMAIN OF PDZ DOMAIN-CONTAINING PROTEIN 1
Descriptor:PDZ DOMAIN-CONTAINING PROTEIN 1
Authors:Yue, W.W., Shafqat, N., Pilka, E.S., Johansson, C., Murray, J.W., Elkins, J., Roos, A., Cooper, C., Phillips, C., Salah, E., von Delft, F., Doyle, D., Edwards, A., Wikstrom, M., Arrowsmith, C., Bountra, C., Oppermann, U.
Deposit date:2008-04-28
Release date:2009-03-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal Structure of the Fourth Pdz Domain of Pdz Domain-Containing Protein 1
To be Published
2XDP
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CRYSTAL STRUCTURE OF THE TUDOR DOMAIN OF HUMAN JMJD2C
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4C, SULFATE ION
Authors:Yue, W.W., Gileadi, C., Krojer, T., Weisbach, H., Ugochukwu, E., Daniel, M., Phillips, C., Chaikuad, A., von Delft, F., Allerston, C., Arrowsmith, C., Weigelt, J., Edwards, A., Bountra, C., Oppermann, U.
Deposit date:2010-05-06
Release date:2010-06-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of the Tudor Domain of Human Jmjd2C
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
4HAS
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CRYSTAL STRUCTURE OF PX DOMAIN OF HUMAN SORTING NEXIN SNX27
Descriptor:Sorting nexin-27, CITRIC ACID, 1,2-ETHANEDIOL
Authors:Froese, D.S., Krojer, T., Strain-Damerell, C., Allerston, C., Kiyani, W., Burgess-Brown, N., von Delft, F., Arrowsmith, C., Bountra, C., Edwards, A., Yue, W.W., Structural Genomics Consortium (SGC)
Deposit date:2012-09-27
Release date:2013-04-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of PX domain of human sorting nexin SNX27
To be Published
5A3N
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CRYSTAL STRUCTURE OF HUMAN PLU-1 (JARID1B) IN COMPLEX WITH KDOAM25A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Srikannathasan, V., Johansson, C., Gileadi, C., Nuzzi, A., Ruda, G.F., Kopec, J., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Brennan, P., Oppermann, U.
Deposit date:2015-06-02
Release date:2015-07-08
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
5F5I
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CRYSTAL STRUCTURE OF HUMAN JMJD2A COMPLEXED WITH KDOOA011340
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Krojer, T., Vollmar, M., Crawley, L., Szykowska, A., Gileadi, C., Johansson, C., England, K., Yang, H., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5FPL
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CRYSTAL STRUCTURE OF HUMAN JARID1B IN COMPLEX WITH CCT363901
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Srikannathasan, V., Yann-Vai, L.B., Nowak, R., Johansson, C., Gileadi, C., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Brennan, P., Huber, K., Oppermann, U.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5FY4
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH SUCCINATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-04
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Succinate
To be Published
5FY5
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH FUMARATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-04
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Fumarate
To be Published
5FY9
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH PYRUVATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, MANGANESE (II) ION, ZINC ION, ...
Authors:Nowak, R., Srikannathasan, V., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-04
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Pyruvate
To be Published
5FYB
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MC1648
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Srikannathasan, V., Rotili, D., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-05
Release date:2017-03-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc1648
To be Published
5FYS
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH D-2-HYDROXYGLUTARATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Kopec, J., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-09
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with D-2-Hydroxyglutarate
To be Published
5FYT
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT (5-FLUORO-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETIC ACID (N09996A)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Pearce, N., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-09
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N09996A
To be Published
5FYU
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT 3-AMINO-4-METHYL-1,3-DIHYDRO-2H-INDOL-2-ONE (N10042A)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Pearce, N., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-09
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10042A
To be Published
5FYV
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH OXALOACETATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, MANGANESE (II) ION, ...
Authors:Nowak, R., Kopec, J., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-10
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Oxaloacetate
To be Published
5FYY
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 3-PYRIDIN-3-YLANILINE (N05798A) (LIGAND MODELLED BASED ON PANDDA EVENT MAP)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, CHLORIDE ION, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Pearce, N., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N05798A
To be Published
5FYZ
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT 2-(2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL)ACETONITRILE (N10063A)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10063A
To be Published
5FZ0
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 2,5-DICHLORO-N-(PYRIDIN-3-YL)THIOPHENE-3-CARBOXAMIDE (N08137B) (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Pearce, N., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-04-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N11213A
To be Published
5FZ1
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 2,4-DICHLORO-N-PYRIDIN-3-YLBENZAMIDE (E48115B) (LIGAND MODELLED BASED ON PANDDA EVENT MAP)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-05-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with E48115B
To be Published
5FZ3
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 3,6-DIHYDROXYBENZONORBORNANE (N08776B) (LIGAND MODELLED BASED ON PANDDA EVENT MAP)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Pearce, N., Talon, R., Collins, P., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N08776B
To be Published
5FZ4
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT (3R)-1-[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]PYRROLIDIN-3-OL (N10057A) (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, ...
Authors:Nowak, R., Krojer, T., Pearce, N., Talon, R., Collins, P., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
To be Published
5FZ6
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT N05859B (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Kupinska, K., Szykowska, A., Pearce, N., Talon, R., Collins, P., Gileadi, C., Strain-Damerell, C., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ7
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT ETHYL 2-AMINO-4-THIOPHEN-2-YLTHIOPHENE-3- CARBOXYLATE (N06131B) (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Kupinska, K., Szykowska, A., Pearce, N., Talon, R., Collins, P., Gileadi, C., Strain-Damerell, C., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-11
Release date:2016-03-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Ethyl 2-Amino-4-Thiophen-2-Ylthiophene-3-Carboxylate (N06131B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZ8
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MALATE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, (2S)-2-hydroxybutanedioic acid, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Gileadi, C., Kupinska, K., Strain-Damerell, C., Szykowska, A., von Delft, F., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Oppermann, U.
Deposit date:2016-03-11
Release date:2017-03-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Malate
To be Published
5FZ9
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT THIENO(3,2-B)THIOPHENE-5-CARBOXYLIC ACID (N06263B) (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 5B, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R., Krojer, T., Johansson, C., Kupinska, K., Szykowska, A., Pearce, N., Talon, R., Collins, P., Gileadi, C., Strain-Damerell, C., Burgess-Brown, N.A., Arrowsmith, C.H., Bountra, C., Edwards, A.M., von Delft, F., Brennan, P.E., Oppermann, U.
Deposit date:2016-03-12
Release date:2016-03-30
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment Thieno(3,2-B)Thiophene -5-Carboxylic Acid (N06263B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published