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BU of 2oeh by Molmil

Determination of the Three-dimensional Structure of the Mrf2-DNA Complex Using Paramagnetic Spin Labeling
分子名称:	5'-D(PCPGPAPCPGPTPTPAPTPAPTPTPGPT)-3', 5'-D(PTPAPCPAPAPTPAPTPAPAPCPGPTPCP*G)-3', AT-rich interactive domain-containing protein 5B
著者	Cai, S, Zhu, L, Zhang, Z.
登録日	2006-12-29
公開日	2007-08-07
最終更新日	2023-12-27
実験手法	SOLUTION NMR
主引用文献	Determination of the three-dimensional structure of the Mrf2-DNA complex using paramagnetic spin labeling. Biochemistry, 46, 2007

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BU of 1q5l by Molmil

NMR structure of the substrate binding domain of DnaK bound to the peptide NRLLLTG
分子名称:	Chaperone protein dnaK, peptide NRLLLTG
著者	Stevens, S.Y, Cai, S, Pellecchia, M, Zuiderweg, E.R.
登録日	2003-08-08
公開日	2003-11-04
最終更新日	2022-03-02
実験手法	SOLUTION NMR
主引用文献	The solution structure of the bacterial HSP70 chaperone protein domain DnaK(393-507) in complex with the peptide NRLLLTG. Protein Sci., 12, 2003

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BU of 2l4q by Molmil

Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb
分子名称:	Thioredoxin
著者	Olson, A.L, Cai, S, Sem, D.S.
登録日	2010-10-12
公開日	2011-10-12
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Solution structures of Mycobacterium tuberculosis thioredoxin C and models of intact thioredoxin system suggest new approaches to inhibitor and drug design. Proteins, 81, 2013

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BU of 2px9 by Molmil

The intrinsic affinity between E2 and the Cys domain of E1 in Ubiquitin-like modifications
分子名称:	SUMO-activating enzyme subunit 2, SUMO-conjugating enzyme UBC9
著者	Wang, J.H, Hu, W.D, Cai, S, Lee, B, Song, J, Chen, Y.
登録日	2007-05-14
公開日	2007-07-24
最終更新日	2022-03-16
実験手法	SOLUTION NMR
主引用文献	The intrinsic affinity between E2 and the Cys domain of E1 in ubiquitin-like modifications. Mol.Cell, 27, 2007

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BU of 2l59 by Molmil

Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb
分子名称:	Thioredoxin
著者	Olson, A.L, Cai, S, Sem, D.S.
登録日	2010-10-28
公開日	2011-10-26
最終更新日	2013-04-03
実験手法	SOLUTION NMR
主引用文献	Solution structures of Mycobacterium tuberculosis thioredoxin C and models of intact thioredoxin system suggest new approaches to inhibitor and drug design. Proteins, 81, 2013

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BU of 8tbf by Molmil

Tricomplex of RMC-7977, KRAS WT, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbk by Molmil

Tricomplex of RMC-7977, KRAS G12C, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.26 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbn by Molmil

Tricomplex of RMC-7977, KRAS G12S, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.46 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbi by Molmil

Tricomplex of RMC-7977, NRAS WT, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase NRas, MAGNESIUM ION, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.59 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbg by Molmil

Tricomplex of RMC-7977, HRAS WT, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ...
著者	Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbm by Molmil

Tricomplex of RMC-7977, KRAS G12V, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.57 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbj by Molmil

Tricomplex of RMC-7977, KRAS G12A, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GLYCEROL, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbl by Molmil

Tricomplex of RMC-7977, KRAS G12D, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者	Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.88 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 8tbh by Molmil

Tricomplex of RMC-7977, KRAS G12R, and CypA
分子名称:	(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ...
著者	Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K.
登録日	2023-06-28
公開日	2024-02-07
最終更新日	2024-04-24
実験手法	X-RAY DIFFRACTION (1.5 Å)
主引用文献	Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 2024

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BU of 2giu by Molmil

Human estrogen receptor beta ligand-binding domain in complex with compound 45
分子名称:	(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one, Estrogen receptor beta
著者	Fitzgerald, P.M.D, Sharma, N.
登録日	2006-03-29
公開日	2006-10-10
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg.Med.Chem.Lett., 16, 2006

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BU of 8iad by Molmil

The Arabidopsis CLCa transporter bound with nitrate, ATP and PIP2
分子名称:	ADENOSINE-5'-TRIPHOSPHATE, Chloride channel protein CLC-a, MAGNESIUM ION, ...
著者	Yang, Z, Zhang, X, Zhang, P.
登録日	2023-02-08
公開日	2023-08-02
最終更新日	2023-08-30
実験手法	ELECTRON MICROSCOPY (3.16 Å)
主引用文献	Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids. Nat Commun, 14, 2023

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BU of 8iab by Molmil

The Arabidopsis CLCa transporter bound with chloride, ATP and PIP2
分子名称:	ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Chloride channel protein CLC-a, ...
著者	Yang, Z, Zhang, X, Zhang, P.
登録日	2023-02-08
公開日	2023-08-02
最終更新日	2023-08-30
実験手法	ELECTRON MICROSCOPY (2.96 Å)
主引用文献	Molecular mechanism underlying regulation of Arabidopsis CLCa transporter by nucleotides and phospholipids. Nat Commun, 14, 2023

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BU of 7dy7 by Molmil

Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation
分子名称:	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
著者	Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
登録日	2021-01-20
公開日	2022-01-26
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.42 Å)
主引用文献	Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. J.Med.Chem., 65, 2022

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