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7F05
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BU of 7f05 by Molmil
Crystal structure of human cardiac calsequestrin bound with calcium
Descriptor: CALCIUM ION, Calsequestrin-2
Authors:Fan, X.X, Liu, X.X, Su, X.D, Wang, S.Q.
Deposit date:2021-06-03
Release date:2022-06-08
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Ca2+-dependent Formation of a Non-transmembrane Channel in a Calsequestrin-2 Dimer
To Be Published
7UJL
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BU of 7ujl by Molmil
Bacteriophage Lambda Red-Beta N-terminal domain helical assembly in complex with dsDNA
Descriptor: Complementary DNA, Recombination protein bet, Template DNA
Authors:Newing, T.P, Tolun, G.
Deposit date:2022-03-31
Release date:2022-10-05
Last modified:2023-01-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Red beta 177 annealase structure reveals details of oligomerization and lambda Red-mediated homologous DNA recombination
Nat Commun, 13, 2022
7W9N
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BU of 7w9n by Molmil
THE STRUCTURE OF OBA33-OTA COMPLEX
Descriptor: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, OTA DNA APTAMER (33-MER)
Authors:Xu, G.H, Li, C.G.
Deposit date:2021-12-10
Release date:2022-01-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Insights into the Mechanism of High-Affinity Binding of Ochratoxin A by a DNA Aptamer.
J.Am.Chem.Soc., 144, 2022
7WMN
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BU of 7wmn by Molmil
A novel chemical derivative(89) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WLX
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BU of 7wlx by Molmil
A novel chemical derivative(53) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMJ
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BU of 7wmj by Molmil
A novel chemical derivative(71) of THRB agonist
Descriptor: 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMH
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BU of 7wmh by Molmil
A novel chemical derivative(56) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMO
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BU of 7wmo by Molmil
A novel chemical derivative(92) of THRB agonist
Descriptor: 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WML
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BU of 7wml by Molmil
A novel chemical derivative(85) of THRB agonist
Descriptor: 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-15
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7WMG
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BU of 7wmg by Molmil
A novel chemical derivative(52) of THRB agonist
Descriptor: 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2
Authors:Yao, B.Q, Li, Y.
Deposit date:2022-01-14
Release date:2022-05-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
7YAW
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BU of 7yaw by Molmil
Crystal structure of ZAK in complex with compound YH-180
Descriptor: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide
Authors:Kong, L.L, Yun, C.H.
Deposit date:2022-06-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023
7YAZ
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BU of 7yaz by Molmil
Crystal structure of ZAK in complex with compound YH-186
Descriptor: Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide
Authors:Kong, L.L, Yun, C.H.
Deposit date:2022-06-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov).
J.Med.Chem., 66, 2023

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