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1M0U
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CRYSTAL STRUCTURE OF THE DROSOPHILA GLUTATHIONE S-TRANSFERASE-2 IN COMPLEX WITH GLUTATHIONE
Descriptor:GST2 gene product, SULFATE ION, GLUTATHIONE
Authors:Agianian, B., Tucker, P.A., Schouten, A., Leonard, K., Bullard, B., Gros, P.
Deposit date:2002-06-14
Release date:2003-02-11
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a Drosophila Sigma Class Glutathione S-transferase Reveals a Novel Active Site Topography Suited for Lipid Peroxidation Products
J.Mol.Biol., 326, 2003
5UE3
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PROMMP-9DESFNII
Descriptor:Matrix metalloproteinase-9, ZINC ION, CALCIUM ION, ...
Authors:Alexander, R.S., Spurlino, J., Milligan, C.
Deposit date:2016-12-29
Release date:2017-09-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
5UE4
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PROMMP-9DESFNII COMPLEXED TO JNJ0966 INHIBITOR
Descriptor:Matrix metalloproteinase-9, ZINC ION, CALCIUM ION, ...
Authors:Alexander, R.S., Spurlino, J., Milligan, C.
Deposit date:2016-12-29
Release date:2017-09-13
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
6NAD
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IDENTIFICATION AND BIOLOGICAL EVALUATION OF TERTIARY ALCOHOL-BASED INVERSE AGONISTS OF RORGT
Descriptor:Nuclear receptor ROR-gamma, (S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol
Authors:Spurlino, J., Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (2.901971 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
1PRE
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PROAEROLYSIN
Descriptor:PROAEROLYSIN
Authors:Parker, M.W., Buckley, J.T., Postma, J.P.M., Tucker, A.D., Tsernoglou, D.
Deposit date:1995-09-15
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Aeromonas toxin proaerolysin in its water-soluble and membrane-channel states.
Nature, 367, 1994
5IGK
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BROMOSPORINE (BSP)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, Bromosporine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGL
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN TAF1L IN COMPLEX WITH BROMOSPORINE (BSP)
Descriptor:Transcription initiation factor TFIID subunit 1-like, Bromosporine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Krojer, T., Tallant, C., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5IGM
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD9 IN COMPLEX WITH BROMOSPORINE (BSP)
Descriptor:Bromodomain-containing protein 9, Bromosporine
Authors:Tallant, C., Filippakopoulos, P., Picaud, S., Nunez-Alonso, G., von Delft, F., Edwards, A.M., Arrowsmith, C.H., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2016-02-28
Release date:2016-10-19
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia.
Sci Adv, 2, 2016
5UFO
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STRUCTURE OF RORGT BOUND TO
Descriptor:Nuclear receptor ROR-gamma, (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
Authors:Spurlino, J.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5UFR
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STRUCTURE OF RORGT BOUND TO
Descriptor:Nuclear receptor ROR-gamma, (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
Authors:Spurlino, J., Abad, M.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5UHI
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STRUCTURE OF RORGT BOUND TO
Descriptor:Nuclear receptor ROR-gamma, (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
Authors:Spurlino, J., Abad, M.
Deposit date:2017-01-11
Release date:2017-04-05
Last modified:2017-04-26
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Identification and structure activity relationships of quinoline tertiary alcohol modulators of ROR gamma t.
Bioorg. Med. Chem. Lett., 27, 2017
5W4R
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STRUCTURE OF RORGT BOUND TO A TERTIARY ALCOHOL
Descriptor:Nuclear receptor ROR-gamma, 1-{4-[(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]piperidin-1-yl}ethan-1-one
Authors:Spurlino, J.
Deposit date:2017-06-12
Release date:2017-12-27
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
5W4V
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STRUCTURE OF RORGT BOUND TO A TERTIARY ALCOHOL
Descriptor:Nuclear receptor ROR-gamma, (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
Authors:Spurlino, J., Hars, U.
Deposit date:2017-06-13
Release date:2017-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:6-Substituted quinolines as ROR gamma t inverse agonists.
Bioorg. Med. Chem. Lett., 27, 2017
6CVH
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IDENTIFICATION AND BIOLOGICAL EVALUATION OF THIAZOLE-BASED INVERSE AGONISTS OF RORGT
Descriptor:Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
Authors:Spurlino, J., Milligan, C.
Deposit date:2018-03-28
Release date:2018-04-25
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
3C0M
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CRYSTAL STRUCTURE OF THE PROAEROLYSIN MUTANT Y221G
Descriptor:Aerolysin
Authors:Pernot, L., Schiltz, M., Thurnheer, S., Burr, S.E., van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C0N
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CRYSTAL STRUCTURE OF THE PROAEROLYSIN MUTANT Y221G AT 2.2 A
Descriptor:Aerolysin
Authors:Pernot, L., Schiltz, M., Thurnheer, S., Burr, S.E., van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3C0O
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CRYSTAL STRUCTURE OF THE PROAEROLYSIN MUTANT Y221G COMPLEXED WITH MANNOSE-6-PHOSPHATE
Descriptor:Aerolysin, ACETATE ION, ALPHA-D-MANNOSE-6-PHOSPHATE
Authors:Pernot, L., Schiltz, M., Thurnheer, S., Burr, S.E., van der Goot, G.
Deposit date:2008-01-21
Release date:2008-02-12
Last modified:2013-10-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular assembly of the aerolysin pore reveals a swirling membrane-insertion mechanism.
Nat.Chem.Biol., 9, 2013
3G4N
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CRYSTAL STRUCTURE OF THE ACTIVATED AEROLYSIN MUTANT H132D
Descriptor:Aerolysin
Authors:Pernot, L., Schiltz, M., van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011
3G4O
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CRYSTAL STRUCTURE OF THE ACTIVATED AEROLYSIN MUTANT H132N
Descriptor:Aerolysin
Authors:Pernot, L., Schiltz, M., van der Goot, G.
Deposit date:2009-02-04
Release date:2010-02-09
Last modified:2011-08-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dual chaperone role of the C-terminal propeptide in folding and oligomerization of the pore-forming toxin aerolysin.
Plos Pathog., 7, 2011