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7CE8
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BU of 7ce8 by Molmil
Crystal structure of T2R-TTL-Compound11 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-06-22
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.725 Å)
Cite:Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CEK
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BU of 7cek by Molmil
Crystal structure of T2R-TTL-BML-284 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-06-23
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.696 Å)
Cite:Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7CE6
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BU of 7ce6 by Molmil
Crystal structure of T2R-TTL-Compound9 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Chen, L.J, Chen, Q, Yu, Y, Yang, J.H.
Deposit date:2020-06-22
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Small Molecules Promote Selective Denaturation and Degradation of Tubulin Heterodimers through a Low-Barrier Hydrogen Bond.
J.Med.Chem., 65, 2022
7F83
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BU of 7f83 by Molmil
Crystal Structure of a receptor in Complex with inverse agonist
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone, Growth hormone secretagogue receptor type 1,Soluble cytochrome b562
Authors:Xu, Z, Shao, Z.
Deposit date:2021-07-01
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
7FEE
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BU of 7fee by Molmil
Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ...
Authors:Wang, X, Zhao, C, Shao, Z.
Deposit date:2021-07-19
Release date:2022-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
Descriptor: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
Authors:Xu, Z, Shao, Z.
Deposit date:2022-02-10
Release date:2022-06-15
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
6KNZ
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BU of 6knz by Molmil
Crystal structure of T2R-TTL-KXO1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]-~{N}-(phenylmethyl)ethanamide, CALCIUM ION, ...
Authors:Chen, Q, Yu, Y.
Deposit date:2019-08-07
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.475 Å)
Cite:Reversible binding of the anticancer drug KXO1 (tirbanibulin) to the colchicine-binding site of beta-tubulin explains KXO1's low clinical toxicity.
J.Biol.Chem., 294, 2019
6MBQ
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BU of 6mbq by Molmil
Crystal structure of Mg-free wild-type KRAS (2-166) bound to GMPPNP in the state 1 conformation
Descriptor: 1,2-ETHANEDIOL, GTPase KRas, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Davies, D.R, Abendroth, J, Gillette, W.G, Stephen, A.G, Simanshu, D.K.
Deposit date:2018-08-30
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structures of N-terminally processed KRAS provide insight into the role of N-acetylation.
Sci Rep, 9, 2019
6MTA
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BU of 6mta by Molmil
KRAS P34R mutant structure in complex with GTP analogue
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-19
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020
6MS9
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BU of 6ms9 by Molmil
GDP-bound KRAS P34R mutant
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Bera, A.K, Westover, K.D.
Deposit date:2018-10-16
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R.
Birth Defects Res, 112, 2020

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