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8ID8
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BU of 8id8 by Molmil
Cryo-EM structure of the TUG891 bound GPR120-Gi complex
分子名称: 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J.
登録日2023-02-12
公開日2023-03-15
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
2KQR
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BU of 2kqr by Molmil
Solution structure of the N-terminal domain (residues 1-111) of Brugia malayi asparaginyl-tRNA synthetase
分子名称: Asparaginyl-tRNA synthetase, cytoplasmic
著者Volkman, B.F, Peterson, F.C, Kron, M.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2009-11-16
公開日2009-12-15
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献A Hybrid Structural Model of the Complete Brugia malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
5Y7L
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BU of 5y7l by Molmil
Solution structure of Hbeta4 extracellular loop of BK potassium channel
分子名称: Calcium-activated potassium channel subunit beta-4
著者Wang, Y, Lan, W, Ding, J, Cao, C.
登録日2017-08-17
公開日2018-08-01
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of extracellular loop of human beta 4 subunit of BK channel and its biological implication on ChTX sensitivity.
Sci Rep, 8, 2018
5ZVB
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BU of 5zvb by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9)
分子名称: APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
5ZVA
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BU of 5zva by Molmil
APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9)
分子名称: APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
8GP7
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BU of 8gp7 by Molmil
Structure of Trioxacarcin A covalently bound to RET G4-DNA
分子名称: DNA (5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'), Trioxacarcin A, bound form
著者Yin, S, Cao, C.
登録日2022-08-25
公開日2023-09-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Trioxacarcin A Interactions with G-Quadruplex DNA Reveal Its Potential New Targets as an Anticancer Agent.
J.Med.Chem., 66, 2023
6W7G
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BU of 6w7g by Molmil
Structure of EED bound to inhibitor 1056
分子名称: 8-(2,6-dimethylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, FORMIC ACID, Polycomb protein EED, ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2020-03-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
分子名称: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
著者Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
登録日2015-02-18
公開日2015-04-22
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
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
4MC2
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BU of 4mc2 by Molmil
HIV protease in complex with SA525P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC6
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BU of 4mc6 by Molmil
HIV protease in complex with SA499
分子名称: 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ...
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC1
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BU of 4mc1 by Molmil
HIV protease in complex with SA526P
分子名称: (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease
著者Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C.
登録日2013-08-21
公開日2014-04-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
5J3I
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BU of 5j3i by Molmil
NMR solution structure of [Sp, Sp]-PT dsDNA
分子名称: DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3')
著者Lan, W, Hu, Z, Cao, C.
登録日2016-03-30
公開日2016-11-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation into physiological DNA phosphorothioate modification
Sci Rep, 6, 2016
8G30
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BU of 8g30 by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 4 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI19 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-06
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3V
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BU of 8g3v by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.21 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3Z
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BU of 8g3z by Molmil
Neuraminidase of B/Massachusetts/02/2012 (Yamagata) in complex with 4 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
5OEP
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BU of 5oep by Molmil
Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-09
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
8G3Q
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BU of 8g3q by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI17 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI17 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3O
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BU of 8g3o by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3R
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BU of 8g3r by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 with S245N S247T mutations in complex with one FNI17 Fab molecule
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3M
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BU of 8g3m by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 3 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FNI9 Fab heavy chain, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3N
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BU of 8g3n by Molmil
N2 neuraminidase of A/Tanzania/205/2010 H3N2 in complex with 4 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G40
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BU of 8g40 by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 3 FNI19 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
8G3P
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BU of 8g3p by Molmil
N2 neuraminidase of A/Hong_Kong/2671/2019 in complex with 4 FNI9 Fab molecules
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dang, H.V, Snell, G.
登録日2023-02-08
公開日2023-05-31
最終更新日2023-06-28
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献A pan-influenza antibody inhibiting neuraminidase via receptor mimicry.
Nature, 618, 2023
5OEL
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BU of 5oel by Molmil
Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1
分子名称: Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
著者Futterer, K, Batt, S.M, Besra, G.S.
登録日2017-07-08
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017

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