1ONJ
 
 | | Crystal structure of Atratoxin-b from Chinese cobra venom of Naja atra | | 分子名称: | Cobrotoxin b, SULFATE ION | | 著者 | Lou, X, Tu, X, Pan, G, Xu, C, Fan, R, Lu, W, Deng, W, Rao, P, Teng, M, Niu, L. | | 登録日 | 2003-02-28 | | 公開日 | 2004-02-28 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.555 Å) | | 主引用文献 | Purification, N-terminal sequencing, crystallization and preliminary structural determination of atratoxin-b, a short-chain alpha-neurotoxin from Naja atra venom.
Acta Crystallogr.,Sect.D, 59, 2003
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1IQ9
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7AWI
 | | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate | | 分子名称: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Goral, I, Wieckowska, A. | | 登録日 | 2020-11-08 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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7AWG
 | | Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | | 著者 | Brazzolotto, X, Wichur, T, Wieckowska, A. | | 登録日 | 2020-11-08 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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7AWH
 | | Crystal structure of human butyrylcholinesterase in complex with tert-butyl 3-(((2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)amino)methyl)piperidine-1-carboxylate | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | | 著者 | Brazzolotto, X, Wichur, T, Wieckowska, A. | | 登録日 | 2020-11-08 | | 公開日 | 2021-09-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties.
Eur.J.Med.Chem., 225, 2021
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8JTS
 | | hOCT1 in complex with metformin in outward open conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.14 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JU0
 | | hOCT1 in complex with spironolactone in inward facing occluded conformation | | 分子名称: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-23 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTW
 | | hOCT1 in complex with nb5660 in inward facing partially open 1 conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTX
 | | hOCT1 in complex with nb5660 in inward facing fully open conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTZ
 | | hOCT1 in complex with spironolactone in outward facing partially occluded conformation | | 分子名称: | SPIRONOLACTONE, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTT
 | | hOCT1 in complex with metformin in outward occluded conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.87 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTY
 | | hOCT1 in complex with nb5660 in inward facing partially open 2 conformation | | 分子名称: | Solute carrier family 22 member 1, nanobody 56 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8JTV
 | | hOCT1 in complex with metformin in inward occluded conformation | | 分子名称: | Metformin, Solute carrier family 22 member 1 | | 著者 | Zhang, S, Zhu, A, Kong, F, Chen, J, Lan, B, He, G, Gao, K, Cheng, L, Yan, C, Chen, L, Liu, X. | | 登録日 | 2023-06-22 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Structural insights into human organic cation transporter 1 transport and inhibition.
Cell Discov, 10, 2024
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8D9Y
 | | Crystal structure of Taipan alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Centi-3FTX-D09 Fab heavy chain, ... | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8D9Z
 | | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8DA1
 | | Crystal structure of Krait alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | Alpha-bungarotoxin, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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8DA0
 | | Crystal structure of Mamba alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | 分子名称: | ACETATE ION, Alpha-elapitoxin-Dpp2d, Centi-3FTX-D09 Fab heavy chain, ... | | 著者 | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | 登録日 | 2022-06-12 | | 公開日 | 2023-06-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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2NBT
 | | NEURONAL BUNGAROTOXIN, NMR, 10 STRUCTURES | | 分子名称: | NEURONAL BUNGAROTOXIN | | 著者 | Oswald, R.E, Sutcliffe, M.J, Bamberger, M, Loring, R.H, Braswell, E, Dobson, C.M. | | 登録日 | 1997-10-29 | | 公開日 | 1998-03-11 | | 最終更新日 | 2022-03-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of neuronal bungarotoxin determined by two-dimensional NMR spectroscopy: calculation of tertiary structure using systematic homologous model building, dynamical simulated annealing, and restrained molecular dynamics.
Biochemistry, 31, 1992
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2MJ4
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2MIX
 | | Structure of a novel venom peptide toxin from sample limited terebrid marine snail | | 分子名称: | venom peptide toxin | | 著者 | Bhuiyan, M.H, Anand, P, Grigoryan, A, Holford, M, Poget, S.F. | | 登録日 | 2013-12-20 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Sample limited characterization of a novel disulfide-rich venom peptide toxin from terebrid marine snail Terebra variegata.
Plos One, 9, 2014
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7VDQ
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | | 分子名称: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | 登録日 | 2021-09-07 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDS
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | | 分子名称: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | 登録日 | 2021-09-07 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDR
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | | 分子名称: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | 登録日 | 2021-09-07 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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7VDP
 | | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | | 著者 | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | | 登録日 | 2021-09-07 | | 公開日 | 2022-03-09 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery and Optimization of Highly Selective Inhibitors of CDK5.
J.Med.Chem., 65, 2022
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1MXP
 | | Solution structure of the ribbon disulfide bond isomer of alpha-conotoxin AuIB | | 分子名称: | alpha-conotoxin AuIB | | 著者 | Dutton, J.L, Bansal, P.S, Hogg, R.C, Adams, D.J, Alewood, P.F, Craik, D.J. | | 登録日 | 2002-10-03 | | 公開日 | 2002-12-30 | | 最終更新日 | 2022-02-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A New Level of Conotoxin Diversity, a Non-native Disulfide Bond Connectivity in alpha -Conotoxin AuIB Reduces Structural Definition but Increases Biological Activity.
J.Biol.Chem., 277, 2002
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