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5M4N
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BU of 5m4n by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
分子名称: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(2~{S})-2-methyl-6-(3-methylquinolin-2-yl)-3,4-dihydro-2~{H}-quinolin-1-yl]methanone, ...
著者Baker, L.M, Brough, P, Surgenor, A.
登録日2016-10-18
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5LRN
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BU of 5lrn by Molmil
Structure of mono-zinc MCR-1 in P21 space group
分子名称: GLYCEROL, Phosphatidylethanolamine transferase Mcr-1, ZINC ION
著者Hinchliffe, P, Paterson, N.G, Spencer, J.
登録日2016-08-19
公開日2016-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
4EF5
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BU of 4ef5 by Molmil
Crystal structure of STING CTD
分子名称: Transmembrane protein 173
著者Ouyang, S, Ru, H, Shaw, N, Jiang, Y, Niu, F, Zhu, Y, Qiu, W, Li, Y, Liu, Z.-J.
登録日2012-03-29
公開日2012-05-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural analysis of the STING adaptor protein reveals a hydrophobic dimer interface and mode of cyclic di-GMP binding
Immunity, 36, 2012
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
分子名称: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
登録日2021-02-09
公開日2021-09-15
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7JMN
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BU of 7jmn by Molmil
Tail module of Mediator complex
分子名称: MED15, Mediator of RNA polymerase II transcription subunit 14, Mediator of RNA polymerase II transcription subunit 16, ...
著者Zhang, H.Q, Chen, D.C.
登録日2020-08-02
公開日2021-03-03
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Mediator structure and conformation change.
Mol.Cell, 81, 2021
5H19
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BU of 5h19 by Molmil
EED in complex with PRC2 allosteric inhibitor EED162
分子名称: 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-08
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
6LPM
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BU of 6lpm by Molmil
Crystal structure of AP endonuclease from Deinococcus radioduran
分子名称: Exodeoxyribonuclease III
著者Zhao, Y, He, Y.
登録日2020-01-11
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Functional Characterization of a Unique AP Endonuclease From Deinococcus radiodurans .
Front Microbiol, 11, 2020
2O9Q
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BU of 2o9q by Molmil
The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K
分子名称: CALCIUM ION, Cationic trypsin, ORB2K, ...
著者Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R.
登録日2006-12-14
公開日2007-12-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift
To be Published
3RJX
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BU of 3rjx by Molmil
Crystal Structure of Hyperthermophilic Endo-Beta-1,4-glucanase
分子名称: Endoglucanase FnCel5A
著者Zheng, B.S, Yang, W, Zhao, X.Y, Wang, Y.G, Lou, Z.Y, Rao, Z.H, Feng, Y.
登録日2011-04-15
公開日2011-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of hyperthermophilic endo-beta-1,4-glucanase: implications for catalytic mechanism and thermostability.
J.Biol.Chem., 287, 2012
8HIK
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BU of 8hik by Molmil
The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8HII
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BU of 8hii by Molmil
The BRIL-SLC19A1/Fab/Nb ternary complex
分子名称: BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ...
著者Zhang, Z, Dang, Y.
登録日2022-11-20
公開日2022-12-21
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Molecular mechanism of substrate recognition by folate transporter SLC19A1.
Cell Discov, 8, 2022
8HLP
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BU of 8hlp by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo)
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Wei, Y, Yu, Z, Zhao, Y.
登録日2022-11-30
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HMB
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BU of 8hmb by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN)
分子名称: (3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wei, Y, Yu, Z, Zhao, Y.
登録日2022-12-02
公開日2024-04-24
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
8HMA
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BU of 8hma by Molmil
Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET)
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ...
著者Wei, Y, Yu, Z, Zhao, Y.
登録日2022-12-02
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors.
Nat Commun, 15, 2024
5XLZ
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BU of 5xlz by Molmil
The crystal structure of tubulin complexed with a benzylidene derivative of 9(10H)-anthracenone
分子名称: 10-[(4-methoxy-3-oxidanyl-phenyl)methylidene]anthracen-9-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Yu, Y, Chen, Q.
登録日2017-05-12
公開日2017-11-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Structure of a benzylidene derivative of 9(10H)-anthracenone in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 495, 2018
6KJX
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BU of 6kjx by Molmil
Galectin-13 variant C138S
分子名称: Galactoside-binding soluble lectin 13
著者Su, J.
登録日2019-07-23
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Galectin-13/placental protein 13: redox-active disulfides as switches for regulating structure, function and cellular distribution.
Glycobiology, 30, 2020
2MP0
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BU of 2mp0 by Molmil
Protein Phosphorylation upon a Fleeting Encounter
分子名称: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
著者Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
登録日2014-05-08
公開日2014-08-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
2MXP
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BU of 2mxp by Molmil
Solution structure of NDP52 ubiquitin-binding zinc finger
分子名称: Calcium-binding and coiled-coil domain-containing protein 2, ZINC ION
著者Pan, L, Xie, X.
登録日2015-01-12
公開日2015-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Molecular basis of ubiquitin recognition by the autophagy receptor CALCOCO2
Autophagy, 11, 2015
7F6V
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BU of 7f6v by Molmil
Cryo-EM structure of the human TACAN channel in a closed state
分子名称: CHOLESTEROL, Ion channel TACAN
著者Chen, X.Z, Wang, Y.J, Li, Y, Yang, X, Shen, Y.Q.
登録日2021-06-25
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Cryo-EM structure of the human TACAN in a closed state.
Cell Rep, 38, 2022
3NYJ
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BU of 3nyj by Molmil
Crystal Structure Analysis of APP E2 domain
分子名称: Amyloid beta A4 protein, OSMIUM ION
著者Ha, Y, Hu, J, Lee, S, Liu, X.
登録日2010-07-15
公開日2011-06-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization.
Biochemistry, 50, 2011
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
分子名称: 3372H, 3372L, Spike protein S1
著者Liu, P.L.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
分子名称: BD55-1239H, BD55-1239L, Spike protein S1
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-28
公開日2022-06-22
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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