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5YBI
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BU of 5ybi by Molmil
Structure of the bacterial pathogens ATPase with substrate AMPPNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
著者Mu, Z.X, Gao, X.P, Cui, S.
登録日2017-09-05
公開日2018-06-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.268 Å)
主引用文献Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri.
Front Microbiol, 9, 2018
5Z3Q
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BU of 5z3q by Molmil
Crystal Structure of a Soluble Fragment of Poliovirus 2C ATPase (2.55 Angstrom)
分子名称: PHOSPHATE ION, PV-2C, ZINC ION
著者Guan, H, Tian, J, Zhang, C, Qin, B, Cui, S.
登録日2018-01-08
公開日2018-09-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Crystal structure of a soluble fragment of poliovirus 2CATPase
PLoS Pathog., 14, 2018
5Z0W
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BU of 5z0w by Molmil
Crystal structure of HIV-1 fusion inhibitor SC29EK complexed with gp41 NHR (N36)
分子名称: peptide-C, peptide-N
著者Liu, Z.X, Qin, B, Cui, S.
登録日2017-12-21
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Mechanism of HIV-1 Resistance to an Electronically Constrained alpha-Helical Peptide Membrane Fusion Inhibitor
J. Virol., 92, 2018
5ZO1
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BU of 5zo1 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain (Ig1-Ig3), 2.2A
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, Cell adhesion molecule 4, GLYCEROL
著者Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
登録日2018-04-12
公開日2019-01-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZO2
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BU of 5zo2 by Molmil
Crystal structure of mouse nectin-like molecule 4 (mNecl-4) full ectodomain in complex with mouse nectin-like molecule 1 (mNecl-1) Ig1 domain, 3.3A
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, Cell adhesion molecule 3, Cell adhesion molecule 4
著者Liu, X, An, T, Li, D, Fan, Z, Xiang, P, Li, C, Ju, W, Li, J, Hu, G, Qin, B, Yin, B, Wojdyla, J.A, Wang, M, Yuan, J, Qiang, B, Shu, P, Cui, S, Peng, X.
登録日2018-04-12
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structure of the heterophilic interaction between the nectin-like 4 and nectin-like 1 molecules.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZT1
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BU of 5zt1 by Molmil
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
著者Gao, X.P, Mu, Z.X, Cui, S.
登録日2018-05-01
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.114 Å)
主引用文献Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
6KZC
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BU of 6kzc by Molmil
crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide
分子名称: 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor
著者Zhang, Z.M, Wang, Y.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
6KZD
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BU of 6kzd by Molmil
Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide
分子名称: 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION
著者Wang, Y, Zhang, Z.M.
登録日2019-09-23
公開日2019-10-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者Cui, W, Cui, S.S.
登録日2019-02-21
公開日2019-04-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
6GWR
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BU of 6gwr by Molmil
Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of DDR1 and DDR2
分子名称: 1,2-ETHANEDIOL, 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide, Epithelial discoidin domain-containing receptor 1, ...
著者Pinkas, D.M, Fox, A.E, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2018-06-25
公開日2018-08-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
J. Med. Chem., 61, 2018
6KTS
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BU of 6kts by Molmil
Structure of C34N126K/N36
分子名称: Envelope glycoprotein, Glycoprotein 41
著者Yu, D.W, Qin, B.
登録日2019-08-28
公開日2020-09-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Functional Characterization of the Secondary Mutation N126K Selected by Various HIV-1 Fusion Inhibitors.
Viruses, 12, 2020
4ON9
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BU of 4on9 by Molmil
DECH box helicase domain
分子名称: CHLORIDE ION, Probable ATP-dependent RNA helicase DDX58, SULFATE ION
著者Deimling, T, Witte, G, Hopfner, K.P.
登録日2014-01-28
公開日2014-07-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal and solution structure of the human RIG-I SF2 domain
Acta Crystallogr.,Sect.F, 70, 2014
5YC0
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BU of 5yc0 by Molmil
Crystal structure of LP-46/N44
分子名称: Envelope glycoprotein, LP-46
著者Zhang, X, Wang, X, He, Y.
登録日2017-09-05
公開日2018-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exceptional potency and structural basis of a T1249-derived lipopeptide fusion inhibitor against HIV-1, HIV-2, and simian immunodeficiency virus
J. Biol. Chem., 293, 2018
5ZCX
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BU of 5zcx by Molmil
Structure of T20/N39
分子名称: Envelope glycoprotein, Envelope glycoprotein gp160
著者Zhang, X.J, Ding, X.H.
登録日2018-02-21
公開日2018-10-10
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
7W2I
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BU of 7w2i by Molmil
Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ...
著者Shang, L, Zhang, G.
登録日2021-11-23
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 598, 2022
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