5VB9
| IL-17A in complex with peptide | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Interleukin-17A, ... | 著者 | Antonysamy, S, Russell, M, Zhang, A, Groshong, C, Manglicmot, D, Lu, F, Benach, J, Wasserman, S.R, Zhang, F, Afshar, S, Bina, H, Broughton, H, Chalmers, M, Dodge, J, Espada, A, Jones, S, Ting, J.P, Woodman, M. | 登録日 | 2017-03-28 | 公開日 | 2018-02-14 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Utilization of peptide phage display to investigate hotspots on IL-17A and what it means for drug discovery. PLoS ONE, 13, 2018
|
|
7QHD
| Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
|
|
7QHE
| Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | 分子名称: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | 登録日 | 2021-12-12 | 公開日 | 2022-12-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
|
|
8AG1
| Crystal structure of a novel OX40 antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ... | 著者 | Gao, H, Zhou, A. | 登録日 | 2022-07-19 | 公開日 | 2023-07-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.303 Å) | 主引用文献 | Structural Basis of a Novel Agonistic Anti-OX40 Antibody. Biomolecules, 12, 2022
|
|
3H0Q
| |
3H0J
| |
5CHE
| |
7Q1M
| Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | 登録日 | 2021-10-20 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
7Q1N
| Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | 登録日 | 2021-10-20 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
7Q1P
| Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | 登録日 | 2021-10-20 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
7Q1O
| Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F. | 登録日 | 2021-10-20 | 公開日 | 2022-11-16 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249, 2023
|
|
8CGO
| Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | 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, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | 登録日 | 2023-02-06 | 公開日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation. Eur.J.Med.Chem., 252, 2023
|
|
3N4O
| Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | 分子名称: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*(B7C)P*CP*GP*CP*G)-3' | 著者 | Takenaka, A, Juan, E.C.M, Shimizu, S. | 登録日 | 2010-05-22 | 公開日 | 2010-08-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
|
|
3N4N
| Insights into the stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido[2,3-d]pyrimidin-2-one | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*A)-3', 5'-D(P*TP*TP*(B7C)P*GP*CP*G)-3' | 著者 | Takenaka, A, Juan, E.C.M, Shimizu, S. | 登録日 | 2010-05-22 | 公開日 | 2010-08-11 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Insights into the DNA stabilizing contributions of a bicyclic cytosine analogue: crystal structures of DNA duplexes containing 7,8-dihydropyrido [2,3-d]pyrimidin-2-one. Nucleic Acids Res., 2010
|
|
7T9U
| Crystal structure of hSTING with an agonist (SHR169224) | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
|
|
7T9V
| Crystal structure of hSTING with the agonist, SHR171032 | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
|
|
3H0S
| |
5F5I
| Crystal Structure of human JMJD2A complexed with KDOOA011340 | 分子名称: | 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ... | 著者 | Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | 登録日 | 2015-12-04 | 公開日 | 2015-12-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
7RN0
| |
7RN1
| |
5FPL
| Crystal structure of human JARID1B in complex with CCT363901 | 分子名称: | 1,2-ETHANEDIOL, 8-[4-(2-azanylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Srikannathasan, V, Yann-Vai, L.B, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Huber, K, Oppermann, U. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-D]Pyrimidin-4(3H)-One Derivatives as Potent, Cell Permeable, Kdm4 (Jmjd2) and Kdm5 (Jarid1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
|
|
4Y5O
| CCM2 HHD in complex with MEKK3 NPB1 | 分子名称: | Malcavernin, Mitogen-activated protein kinase kinase kinase 3 | 著者 | Fisher, O.S, Boggon, T.J. | 登録日 | 2015-02-11 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure and vascular function of MEKK3-cerebral cavernous malformations 2 complex. Nat Commun, 6, 2015
|
|
6T2H
| Furano[2,3-d]prymidine amides as Notum inhibitors | 分子名称: | 1,2-ETHANEDIOL, 2-[[(4~{S})-5-chloranyl-6-methyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-4-yl]sulfanyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2019-10-08 | 公開日 | 2020-01-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Scaffold-hopping identifies furano[2,3-d]pyrimidine amides as potent Notum inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
|
|
7BYM
| Cryo-EM structure of human KCNQ4 with retigabine | 分子名称: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | 著者 | Shen, H, Li, T, Yue, Z. | 登録日 | 2020-04-23 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs. Mol.Cell, 81, 2021
|
|
7BYL
| Cryo-EM structure of human KCNQ4 | 分子名称: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | 著者 | Shen, H, Li, T, Yue, Z. | 登録日 | 2020-04-23 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs. Mol.Cell, 81, 2021
|
|