5AME | | CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SURFACE EPITOPE ENGINEERED BRD1A IN COMPLEX WITH 3D CONSORTIUM FRAGMENT 4-ACETYL- PIPERAZIN-2-ONE (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, 4-acetyl-piperazin-2-one, SODIUM ION | | Authors: | Pearce, N.M., Fairhead, M., Strain-Damerell, C., Talon, R., Wright, N., Ng, J.T., Bradley, A., Cox, O., Bowkett, D., Collins, P., Brandao-Neto, J., Douangamath, A., Krojer, T., Burgess-Brown, N., Brennan, P., Arrowsmith, C.H., Edwards, E., Bountra, C., von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One
To be Published
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5AMF | | CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SURFACE EPITOPE ENGINEERED BRD1A IN COMPLEX WITH 3D CONSORTIUM FRAGMENT ETHYL 4,5,6,7- TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | | Authors: | Pearce, N.M., Fairhead, M., Strain-Damerell, C., Talon, R., Wright, N., Ng, J.T., Bradley, A., Cox, O., Bowkett, D., Collins, P., Brandao-Neto, J., Douangamath, A., Krojer, T., Burgess-Brown, N., Brennan, P., Arrowsmith, C.H., Edwards, E., Bountra, C., von Delft, F. | | Deposit date: | 2015-03-10 | | Release date: | 2015-03-18 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate
To be Published
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5KH6 | | SETDB1 IN COMPLEX WITH A FRAGMENT CANDIDATE | | Descriptor: | Histone-lysine N-methyltransferase SETDB1, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Walker, J.R., Harding, R.J., Mader, P., Dobrovetsky, E., Dong, A., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., von Delft, F., Brown, P.J., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Santhakumar, V., Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-09-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | SETDB1 in complex with a fragment candidate
To be published
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5ENB | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH O-TOLYLTHIOUREA (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 1-(2-methylphenyl)thiourea, 1,2-ETHANEDIOL | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENC | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH N-(2,6-DICHLOROBENZYL)ACETAMIDE (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 1,2-ETHANEDIOL, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENE | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH 5-AMINO-2-BENZYL-1,3-OXAZOLE-4-CARBONITRILE (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Amin, J., Szykowska, A., Burgess-Brown, N., Spencer, J., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENF | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH FRAGMENT-4 N10142 (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Amin, J., Szykowska, A., Burgess-Brown, N., Spencer, J., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENH | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH COMPOUND-12 N11528 (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENI | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH COMPOUND-13 N11537 (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENJ | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH COMPOUND-14 N11530 (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide, MAGNESIUM ION | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5B8D | | CRYSTAL STRUCTURE OF A LOW OCCUPANCY FRAGMENT CANDIDATE (N-(4-METHYL-1,3-THIAZOL-2-YL)PROPANAMIDE) BOUND ADJACENT TO THE UBIQUITIN BINDING POCKET OF THE HDAC6 ZINC-FINGER DOMAIN | | Descriptor: | Histone deacetylase 6, ZINC ION, FORMIC ACID, ... | | Authors: | Harding, R.J., Tempel, W., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., Ravichandran, M., Schapira, M., Bountra, C., Edwards, A.M., von Delft, F., Santhakumar, V., Arrowsmith, C.M., Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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5FZ3 | | 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
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5FZ4 | | 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
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5FZ6 | | 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
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5FZ7 | | 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
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5FZ9 | | 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
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5FZB | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 4-PYRIDYLTHIOUREA (N06275B) (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 (2.18 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4-Pyridylthiourea (N06275B) (Ligand Modelled Based on Pandda Event Map, Sgc -Diamond I04-1 Fragment Screening)
To be Published
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5FZC | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 4,5-DIHYDRONAPHTHO(1,2-B)THIOPHENE-2- CARBOXYLICACID (N11181A) (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: | 2016-03-14 | | Release date: | 2016-03-30 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZH | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH MAYBRIDGE FRAGMENT 4,5-DIHYDRONAPHTHO(1,2-B)THIOPHENE-2- CARBOXYLICACID (N11181A) (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: | 2016-03-14 | | Release date: | 2016-05-25 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZK | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT N,3-DIMETHYL-N-(PYRIDIN-3-YLMETHYL)-1,2-OXAZOLE-5- CARBOXAMIDE (N10051A) (LIGAND MODELLED BASED ON PANDDA EVENT MAP, SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | 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., 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: | 2016-03-14 | | Release date: | 2016-04-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment N,3-Dimethyl-N-(Pyridin-3-Ylmethyl)-1,2-Oxazole-5-Carboxamide (N10051A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZL | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT 3-METHYL-N-PYRIDIN-4-YL-1,2-OXAZOLE-5-CARBOXAMIDE (N09954A) (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: | 2016-03-14 | | Release date: | 2016-04-06 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5FZM | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JARID1B IN COMPLEX WITH 3D FRAGMENT 5-(2-FLUOROPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID (N09989B) (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: | 2016-03-14 | | Release date: | 2017-03-29 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
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5KH9 | | CRYSTAL STRUCTURE OF A LOW OCCUPANCY FRAGMENT CANDIDATE (5-[(4-ISOPROPYLPHENYL)AMINO]-6-METHYL-1,2,4-TRIAZIN-3(2H)-ONE) BOUND IN THE UBIQUITIN BINDING POCKET OF THE HDAC6 ZINC-FINGER DOMAIN | | Descriptor: | Histone deacetylase 6, ZINC ION, FORMIC ACID, ... | | Authors: | Harding, R.J., Tempel, W., Ravichandran, M., Collins, P., Pearce, N., Brandao-Neto, J., Douangamath, A., Schapira, M., Bountra, C., Edwards, A.M., von Delft, F., Santhakumar, V., Arrowsmith, C.M., Structural Genomics Consortium (SGC) | | Deposit date: | 2016-06-14 | | Release date: | 2016-07-27 | | Last modified: | 2019-02-27 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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5PB7 | | PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09440A | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 1~{H}-indazol-5-amine | | Authors: | Pearce, N.M., Krojer, T., Talon, R., Bradley, A.R., Fairhead, M., Sethi, R., Wright, N., MacLean, E., Collins, P., Brandao-Neto, J., Douangamath, A., Renjie, Z., Dias, A., Vollmar, M., Ng, J., Brennan, P.E., Cox, O., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-15 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PB8 | | PANDDA ANALYSIS GROUP DEPOSITION -- CRYSTAL STRUCTURE OF BAZ2B IN COMPLEX WITH N09522A | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, P-HYDROXYACETOPHENONE | | Authors: | Pearce, N.M., Krojer, T., Talon, R., Bradley, A.R., Fairhead, M., Sethi, R., Wright, N., MacLean, E., Collins, P., Brandao-Neto, J., Douangamath, A., Renjie, Z., Dias, A., Vollmar, M., Ng, J., Brennan, P.E., Cox, O., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2017-02-03 | | Release date: | 2017-03-15 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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