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4CO9
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CRYSTAL STRUCTURE OF KYNURENINE FORMAMIDASE FROM BACILLUS ANTHRACIS
Descriptor:KYNURENINE FORMAMIDASE, ZINC ION, MAGNESIUM ION, ...
Authors:Diaz-Saez, L., Srikannathasan, V., Zoltner, M., Hunter, W.N.
Deposit date:2014-01-27
Release date:2014-04-02
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4COB
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CRYSTAL STRUCTURE KYNURENINE FORMAMIDASE FROM PSEUDOMONAS AERUGINOSA
Descriptor:KYNURENINE FORMAMIDASE, ZINC ION
Authors:Diaz-Saez, L., Srikannathasan, V., Zoltner, M., Hunter, W.N.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4COG
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CRYSTAL STRUCTURE OF KYNURENINE FORMAMIDASE FROM BURKHOLDERIA CENOCEPACIA
Descriptor:KYNURENINE FORMAMIDASE, ZINC ION, CADMIUM ION, ...
Authors:Diaz-Saez, L., Srikannathasan, V., Zoltner, M., Hunter, W.N.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4CZ1
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CRYSTAL STRUCTURE OF KYNURENINE FORMAMIDASE FROM BACILLUS ANTHRACIS COMPLEXED WITH 2-AMINOACETOPHENONE.
Descriptor:KYNURENINE FORMAMIDASE, ZINC ION, 2-aminoacetophenone, ...
Authors:Diaz-Saez, L., Srikannathasan, V., Zoltner, M., Hunter, W.N.
Deposit date:2014-04-16
Release date:2014-04-30
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
5G1Q
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COMPRESSED CONFORMATION OF FRANCISELLA TULARENSIS CLPP AT 2.84 A
Descriptor:CLP PROTEASE PROTEOLYTIC SUBUNIT P
Authors:Diaz-Saez, L., Hunter, W.N.
Deposit date:2016-03-29
Release date:2016-10-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5G1R
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OPEN CONFORMATION OF FRANCISELLA TULARENSIS CLPP AT 1.9 A
Descriptor:ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Diaz-Saez, L., Hunter, W.N.
Deposit date:2016-03-29
Release date:2016-10-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5G1S
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OPEN CONFORMATION OF FRANCISELLA TULARENSIS CLPP AT 1.7 A
Descriptor:ATP-dependent Clp protease proteolytic subunit, (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, ...
Authors:Diaz-Saez, L., Pankov, G., Hunter, W.N.
Deposit date:2016-03-30
Release date:2016-10-19
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5MQ1
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CRYSTAL STRUCTURE OF THE BRD7 BROMODOMAIN IN COMPLEX WITH BI-9564
Descriptor:Bromodomain-containing protein 7, 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, ZINC ION, ...
Authors:Diaz-Saez, L., Martin, L.J., Panagakou, I., Picaud, S., Krojer, T., von Delft, F., Knapp, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Structural Genomics Consortium (SGC)
Deposit date:2016-12-19
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the BRD7 bromodomain in complex with BI-9564
To Be Published
5NRH
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CRYSTAL STRUCTURE OF BURKHOLDERIA PSEUDOMALLEI D-ALANINE-D-ALANINE LIGASE IN COMPLEX WITH AMP
Descriptor:D-alanine--D-alanine ligase, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L., Hunter, W.N.
Deposit date:2017-04-23
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterisation of Burkholderia pseudomallei D-alanine-D-alanine ligase
To Be Published
5NRI
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CRYSTAL STRUCTURE OF BURKHOLDERIA PSEUDOMALLEI D-ALANINE-D-ALANINE LIGASE IN COMPLEX WITH AMP AND D-ALA-D-ALA
Descriptor:D-alanine--D-alanine ligase, ADENOSINE MONOPHOSPHATE, D-ALANINE, ...
Authors:Diaz-Saez, L., Hunter, W.N.
Deposit date:2017-04-23
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterisation of Burkholderia pseudomallei D-alanine-D-alanine ligase
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
6QH4
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CRYSTAL STRUCTURE OF HUMAN METHYLMALONYL-COA EPIMERASE (MCEE) P.ARG143CYS VARIANT
Descriptor:Methylmalonyl-CoA epimerase, mitochondrial, COBALT (II) ION
Authors:Bailey, H.J., Chaikuid, A., Krysztofinska, E., Froese, D.S., Sorrell, F.J., Diaz-Saez, L., Kennedy, E., Edwards, A.M., Bountra, C., Yue, W.W.
Deposit date:2019-01-15
Release date:2019-02-27
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
To Be Published
6F1X
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COMPLEX BETWEEN MTH1 AND COMPOUND 7 (A 7-AZAINDOLE-2-AMIDE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 4-(3-chlorophenyl)-~{N}-ethyl-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide, SULFATE ION
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F20
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COMPLEX BETWEEN MTH1 AND COMPOUND 1 (A 7-AZAINDOLE-4-ESTER DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, SULFATE ION, ...
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F22
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COMPLEX BETWEEN MTH1 AND COMPOUND 29 (A 4-AMINO-2,7-DIAZAINDOLE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, (3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine, SULFATE ION
Authors:Viklund, J., Talagas, A., Tresaugues, L., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
6F23
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COMPLEX BETWEEN MTH1 AND COMPOUND 16 (A 4-AMINO-7-AZAINDOLE DERIVATIVE)
Descriptor:7,8-dihydro-8-oxoguanine triphosphatase, 4-[(2~{R})-2-phenylpyrrolidin-1-yl]-1~{H}-pyrrolo[2,3-b]pyridine, SULFATE ION, ...
Authors:Viklund, J., Tresaugues, L., Talagas, A., Andersson, M., Ericsson, U., Forsblom, R., Ginman, T., Hallberg, K., Lindstrom, J., Persson, L., Silvander, C., Rahm, F.
Deposit date:2017-11-23
Release date:2018-03-07
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
5MG2
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1 IN COMPLEX WITH BAY-299 CHEMICAL PROBE
Descriptor:Transcription initiation factor TFIID subunit 1, 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Authors:Tallant, C., Bouche, L., Holton, S.J., Fedorov, O., Siejka, P., Picaud, S., Krojer, T., Srikannathasan, V., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hartung, I.V., Haendler, B., Muller, S., Huber, K.V.M., Structural Genomics Consortium (SGC)
Deposit date:2016-11-20
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
5N49
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BRPF2 IN COMPLEX WITH COMPOUND 7
Descriptor:Bromodomain-containing protein 1, 2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Authors:Bouche, L., Christ, C.D., Siegel, S., Fernandez-Montalvan, A.E., Holton, S.J., Fedorov, O., ter Laak, A., Sugawara, T., Stoeckigt, D., Tallant, C., Bennett, J., Monteiro, O., Saez, L.D., Siejka, P., Meier, J., Puetter, V., Weiske, J., Mueller, S., Huber, K.V.M., Hartung, I.V., Haendler, B.
Deposit date:2017-02-10
Release date:2017-05-03
Last modified:2017-05-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
6HT0
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CRYSTAL STRUCTURE OF MLLT1 (ENL) YEATS DOMAIN IN COMPLEXED WITH COMPOUND 94
Descriptor:Protein ENL, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Heidenreich, D., Chaikuad, A., Moustakim, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Fedorov, O., Brennan, P.E., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
6HT1
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CRYSTAL STRUCTURE OF MLLT1 (ENL) YEATS DOMAIN IN COMPLEXED WITH SGC-IMLLT (COMPOUND 92)
Descriptor:Protein ENL, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Heidenreich, D., Chaikuad, A., Moustakim, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Fedorov, O., Brennan, P.E., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018