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5N8C
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CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LPXC COMPLEXED WITH INHIBITOR
Descriptor:UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION, (2~{S})-3-azanyl-2-[[(1~{R})-5-[2-[4-[[2-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]ethynyl]-2,3-dihydro-1~{H}-inden-1-yl]amino]-3-methyl-~{N}-oxidanyl-butanamide, ...
Authors:Cross, J.B., Ryan, M.D., Zhang, J., Cheng, R.K., Wood, M., Andersen, O.A., Brooks, M., Kwong, J., Barker, J.
Deposit date:2017-02-23
Release date:2017-03-29
Last modified:2017-04-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based discovery of LpxC inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
4L7B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH (1S,2R)-2-{[(1S)-1-[(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, ACETATE ION, (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ...
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7C
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH 2-{[(1S)-2-{[(1R,2S)-2-(1H-TETRAZOL-5-YL)CYCLOHEXYL]CARBONYL}-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]METHYL}-1H-ISOINDOLE-1,3(2H)-DIONE
Descriptor:Kelch-like ECH-associated protein 1, 2-{[(1S)-2-{[(1R,2S)-2-(1H-tetrazol-5-yl)cyclohexyl]carbonyl}-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione, ACETATE ION
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4L7D
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH (1S,2R)-2-{[(1S)-5-METHYL-1-[(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)METHYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL]CARBONYL}CYCLOHEXANECARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, (1S,2R)-2-{[(1S)-5-methyl-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION
Authors:Jnoff, E., Brookfield, F., Albrecht, C., Barker, J.J., Barker, O., Beaumont, E., Bromidge, S., Brooks, M., Ceska, T., Courade, J.P., Crabbe, T., Duclos, S., Fryatt, T., Jigorel, E., Kwong, J., Sands, Z., Smith, M.A.
Deposit date:2013-06-13
Release date:2014-02-19
Last modified:2014-04-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4N1B
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STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-OXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL]CYCLOHEXANE-1-CARBOXYLIC ACID
Descriptor:Kelch-like ECH-associated protein 1, (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION
Authors:Smith, M.A., Duclos, S., Beaumont, E., Kwong, J., Brooks, M., Barker, J., Jnoff, E., Brookfield, F., Courade, J.P., Barker, O., Fryatt, T., Albrecht, C., Bromidge, S.
Deposit date:2013-10-03
Release date:2014-02-19
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex.
Chemmedchem, 9, 2014
4UQT
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RRM-PEPTIDE STRUCTURE IN RES COMPLEX
Descriptor:U2 SNRNP COMPONENT IST3, PRE-MRNA-SPLICING FACTOR CWC26
Authors:Tripsianes, K., Friberg, A., Barrandon, C., Seraphin, B., Sattler, M.
Deposit date:2014-06-25
Release date:2014-09-03
Last modified:2014-10-22
Method:SOLUTION NMR
Cite:A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex.
J.Biol.Chem., 289, 2014