5UHI
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![BU of 5uhi by Molmil](/molmil-images/mine/5uhi) | Structure of RORgt bound to | Descriptor: | (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, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Abad, M. | Deposit date: | 2017-01-11 | Release date: | 2017-04-05 | Last modified: | 2024-03-06 | 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
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5W4R
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![BU of 5w4r by Molmil](/molmil-images/mine/5w4r) | Structure of RORgt bound to a tertiary alcohol | Descriptor: | 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, Nuclear receptor ROR-gamma | Authors: | Spurlino, J. | Deposit date: | 2017-06-12 | Release date: | 2017-12-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
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5W4V
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![BU of 5w4v by Molmil](/molmil-images/mine/5w4v) | Structure of RORgt bound to a tertiary alcohol | Descriptor: | (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, Nuclear receptor ROR-gamma | Authors: | Spurlino, J, Hars, U. | Deposit date: | 2017-06-13 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 6-Substituted quinolines as ROR gamma t inverse agonists. Bioorg. Med. Chem. Lett., 27, 2017
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6CVH
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![BU of 6cvh by Molmil](/molmil-images/mine/6cvh) | 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: | 2024-03-13 | 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
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5IGM
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![BU of 5igm by Molmil](/molmil-images/mine/5igm) | 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: | 2024-01-10 | 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
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5IGL
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![BU of 5igl by Molmil](/molmil-images/mine/5igl) | Crystal structure of the second bromodomain of human TAF1L in complex with bromosporine (BSP) | Descriptor: | Bromosporine, Transcription initiation factor TFIID subunit 1-like | 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: | 2024-01-10 | 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
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5IGK
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![BU of 5igk by Molmil](/molmil-images/mine/5igk) | Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, 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: | 2024-01-10 | 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
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1PRE
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![BU of 1pre by Molmil](/molmil-images/mine/1pre) | 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
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3G4O
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![BU of 3g4o by Molmil](/molmil-images/mine/3g4o) | |
3G4N
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![BU of 3g4n by Molmil](/molmil-images/mine/3g4n) | |
3C0N
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![BU of 3c0n by Molmil](/molmil-images/mine/3c0n) | 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: | 2023-11-01 | 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
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