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5XL0
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BU of 5xl0 by Molmil
met-aquo form of sperm whale myoglobin reconstituted with 7-PF, a heme possesseing CF3 group as side chain
Descriptor: Myoglobin, SULFATE ION, fluorinated heme
Authors:Kanai, Y, Harada, A, Shibata, T, Nishimura, R, Namiki, K, Watanabe, M, Nakamura, S, Yumoto, F, Senda, T, Suzuki, A, Neya, S, Yamamoto, Y.
Deposit date:2017-05-10
Release date:2017-08-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Characterization of Heme Orientational Disorder in a Myoglobin Reconstituted with a Trifluoromethyl-Group-Substituted Heme Cofactor
Biochemistry, 56, 2017
6NAD
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BU of 6nad by Molmil
Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt
Descriptor: (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, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Milligan, C.
Deposit date:2018-12-05
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.90197086 Å)
Cite:3-Substituted Quinolines as ROR gamma t Inverse Agonists.
Bioorg.Med.Chem.Lett., 29, 2019
5UFR
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BU of 5ufr by Molmil
Structure of RORgt bound to
Descriptor: (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J, Abad, M.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
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
5UFO
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BU of 5ufo by Molmil
Structure of RORgt bound to
Descriptor: (S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol, Nuclear receptor ROR-gamma
Authors:Spurlino, J.
Deposit date:2017-01-05
Release date:2017-04-05
Last modified:2024-03-06
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
5UHI
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BU of 5uhi by Molmil
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
5W4R
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BU of 5w4r by Molmil
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
5W4V
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BU of 5w4v by Molmil
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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PDB entries from 2024-04-17

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