5KE4
 
 | | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)- N,N-dimethylethanamine (BPC) | | Descriptor: | 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine, Soluble acetylcholine receptor | | Authors: | Bobango, J, Wu, J, Talley, I.T, Ralston, R, Sankaran, B, Talley, T.T. | | Deposit date: | 2016-06-09 | | Release date: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (2.554 Å) | | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-
N,N-dimethylethanamine (BPC)
To Be Published
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4L45
 | | Crystal structures of human p70S6K1-T389E | | Descriptor: | 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein | | Authors: | Wang, J, Zhong, C, Ding, J. | | Deposit date: | 2013-06-07 | | Release date: | 2013-07-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
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2BBZ
 | | Crystal Structure of MC159 Reveals Molecular Mechanism of DISC Assembly and vFLIP Inhibition | | Descriptor: | Viral CASP8 and FADD-like apoptosis regulator | | Authors: | Yang, J.K, Wang, L, Zheng, L, Wan, F, Ahmed, M, Lenardo, M.J, Wu, H. | | Deposit date: | 2005-10-18 | | Release date: | 2006-02-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of MC159 reveals molecular mechanism of DISC assembly and FLIP inhibition.
Mol.Cell, 20, 2005
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3Q53
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4GPS
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4GPU
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7WWF
 | | Crystal structure of BioH3 from Mycolicibacterium smegmatis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase | | Authors: | Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J. | | Deposit date: | 2022-02-12 | | Release date: | 2022-07-06 | | Last modified: | 2023-01-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
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7X45
 | | Grass carp interferon gamma related | | Descriptor: | Interferon gamma | | Authors: | Wang, J, Zou, J, Zhu, X. | | Deposit date: | 2022-03-02 | | Release date: | 2022-09-14 | | Last modified: | 2023-04-19 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Novel Dimeric Architecture of an IFN-gamma-Related Cytokine Provides Insights into Subfunctionalization of Type II IFNs in Teleost Fish.
J Immunol., 209, 2022
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4L52
 | | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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3MQE
 | | Structure of SC-75416 bound at the COX-2 active site | | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | | Deposit date: | 2010-04-28 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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5ZOV
 | | Inward-facing conformation of L-ascorbate transporter UlaA | | Descriptor: | ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC | | Authors: | Wang, J.W. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.333 Å) | | Cite: | Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
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5GM4
 | | Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose | | Descriptor: | Endoglucanase-1, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | | Deposit date: | 2016-07-12 | | Release date: | 2017-05-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
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7YVT
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2HC7
 | | 2'-selenium-T A-DNA [G(TSe)GTACAC] | | Descriptor: | 5'-D(*GP*(2ST)P*GP*TP*AP*CP*AP*C)-3' | | Authors: | Jiang, J, Sheng, J, Huang, Z. | | Deposit date: | 2006-06-15 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of 2'-Selenium modified T A-DNA G(TSe)GTACAC
TO BE PUBLISHED
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8IFM
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4NNK
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4YQX
 | | Mouse IL-2 Bound to JES6-1 scFv Fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-2, JES6-1 VH domain, ... | | Authors: | Spangler, J.B, Luca, V.C, Jude, K.M, Garcia, K.C. | | Deposit date: | 2015-03-13 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.826 Å) | | Cite: | Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms.
Immunity, 42, 2015
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8IFL
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3BYZ
 | | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | | Descriptor: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zhang, J, Jordan, S.R, Li, V. | | Deposit date: | 2008-01-16 | | Release date: | 2008-02-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
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7XPL
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5JME
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4YUE
 | | Mouse IL-2 Bound to S4B6 Fab Fragment | | Descriptor: | GLYCEROL, Interleukin-2, S4B6 Fab heavy chain, ... | | Authors: | Spangler, J.B, Jude, K.M, Garcia, K.C. | | Deposit date: | 2015-03-18 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Antibodies to Interleukin-2 Elicit Selective T Cell Subset Potentiation through Distinct Conformational Mechanisms.
Immunity, 42, 2015
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8ISM
 | | HSA-Pt compound complex | | Descriptor: | 7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine, PALMITIC ACID, Serum albumin | | Authors: | Zhang, J.Z, Zhang, Z.L. | | Deposit date: | 2023-03-21 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | HSA-Pt compound complex
To Be Published
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5KZU
 | | Crystal structure of an acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole | | Descriptor: | 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole, SULFATE ION, Soluble acetylcholine receptor, ... | | Authors: | Bobango, J, Wu, J, Talley, I.T, Sankaran, B, Talley, T.T. | | Deposit date: | 2016-07-25 | | Release date: | 2016-11-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
To Be Published
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3QZR
 | | Human enterovirus 71 3C protease mutant E71A in complex with rupintrivir | | Descriptor: | 1,2-ETHANEDIOL, 3C protein, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Wang, J, Fan, T, Yao, X, Wu, Z, Guo, L, Lei, X, Wang, J, Wang, M, Jin, Q, Cui, S. | | Deposit date: | 2011-03-07 | | Release date: | 2011-08-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.039 Å) | | Cite: | Crystal Structures of Enterovirus 71 3C Protease Complexed with Rupintrivir Reveal the Roles of Catalytically Important Residues.
J.Virol., 85, 2011
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