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6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
6XEO
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BU of 6xeo by Molmil
Structure of Mfd bound to dsDNA
分子名称: DNA (5'-D(P*AP*GP*GP*AP*TP*AP*CP*TP*TP*AP*CP*AP*GP*CP*CP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*GP*GP*CP*TP*GP*TP*AP*AP*GP*TP*AP*TP*CP*CP*T)-3'), Transcription-repair-coupling factor
著者Brugger, C, Deaconescu, A.
登録日2020-06-12
公開日2020-08-19
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献Molecular determinants for dsDNA translocation by the transcription-repair coupling and evolvability factor Mfd.
Nat Commun, 11, 2020
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
分子名称: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
登録日2019-12-28
公開日2021-10-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
6KSQ
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BU of 6ksq by Molmil
Middle Domain of Human HSP90 Alpha
分子名称: Heat shock protein HSP 90-alpha
著者Su, H.X, Zhou, C, Zhang, N.X, Xu, Y.C.
登録日2019-08-25
公開日2020-02-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Allosteric Regulation of Hsp90 alpha's Activity by Small Molecules Targeting the Middle Domain of the Chaperone.
Iscience, 23, 2020
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
分子名称: PRA1 family protein
著者Qin, L, Tang, L.H, Chen, Y.H.
登録日2022-11-09
公開日2023-06-21
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
7T63
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BU of 7t63 by Molmil
Crystal structure of a delta 6 18:0-ACP desaturase from Thunbergia laurifolia
分子名称: DESATURASE, FE (II) ION
著者Liu, Q, Chai, J, Shanklin, J.
登録日2021-12-13
公開日2022-07-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Divergent evolution of extreme production of variant plant monounsaturated fatty acids.
Proc.Natl.Acad.Sci.USA, 119, 2022
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
分子名称: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
著者Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
登録日2023-04-06
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
6J1L
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BU of 6j1l by Molmil
Crystal Structure Analysis of the ROR gamma(C455E)
分子名称: 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma
著者zhang, Y, Li, C.C, wu, X.S.
登録日2018-12-28
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
6PUN
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BU of 6pun by Molmil
Crystal structure of a ternary complex of FBF-2 with LST-1 (site B) and compact FBE RNA
分子名称: 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, GLYCEROL, ...
著者Qiu, C, Campbell, Z.T, Hall, T.M.T.
登録日2019-07-18
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献A crystal structure of a collaborative RNA regulatory complex reveals mechanisms to refine target specificity.
Elife, 8, 2019
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
分子名称: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Xue, X, Zhang, Y, Wang, C, Song, M.
登録日2017-11-08
公開日2018-11-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
5WPW
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BU of 5wpw by Molmil
Crystal structure of coconut allergen cocosin
分子名称: 11S globulin isoform 1
著者Jin, T, Zhang, Y.
登録日2016-11-21
公開日2017-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Crystal Structure of Cocosin, A Potential Food Allergen from Coconut (Cocos nucifera)
J. Agric. Food Chem., 65, 2017
8CS1
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BU of 8cs1 by Molmil
[GA/CT] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*CP*TP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (4.56 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CS6
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BU of 8cs6 by Molmil
[AGG/CTC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*CP*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6.76 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CS2
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BU of 8cs2 by Molmil
[(1AP)G/TC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*(1AP)P*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CS7
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BU of 8cs7 by Molmil
[CCG/CCG] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*CP*CP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*CP*CP*GP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6.67 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CYM
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BU of 8cym by Molmil
[2T7+9bp Linker] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle with 9 bp Sticky-End Linker
分子名称: DNA (5'-D(*AP*CP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*C)-3'), DNA (5'-D(*GP*AP*TP*GP*CP*GP*AP*GP*T)-3'), DNA (5'-D(*GP*TP*AP*CP*TP*CP*GP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (7.76 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
7U1Z
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BU of 7u1z by Molmil
Crystal structure of the DRBD and CROPs of TcdA
分子名称: SULFATE ION, Toxin A
著者Baohua, C, Peng, C, Kay, P, Rongsheng, J.
登録日2022-02-22
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structure and conformational dynamics of Clostridioides difficile toxin A.
Life Sci Alliance, 5, 2022
8CYN
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BU of 8cyn by Molmil
[2T7+20bp Linker] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle with 20 bp Sticky-End Linker
分子名称: DNA (5'-D(*GP*CP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-24
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (9.45 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CS5
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BU of 8cs5 by Molmil
[GGA/CTC] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*CP*TP*CP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (6.52 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023
8CS3
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BU of 8cs3 by Molmil
[CAG/TCG] Self-Assembled 3D DNA Hexagonal Tensegrity Triangle
分子名称: DNA (5'-D(*CP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*GP*TP*GP*AP*TP*GP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), ...
著者Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R.
登録日2022-05-12
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (5.14 Å)
主引用文献Programmable 3D Hexagonal Geometry of DNA Tensegrity Triangles.
Angew.Chem.Int.Ed.Engl., 62, 2023

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