PDB: 223790 件ウェブページステータス検索Chemie searchBIRD

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6YBK	Structure of MBP-Mcl-1 in complex with compound 4d 分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... 著者 Dokurno, P, Surgenor, A.E, Murray, J.B. 登録日 2020-03-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
6PQL	SBP RafE in complex with raffinose 分子名称: ABC transporter sugar-binding protein, beta-D-fructofuranose-(2-1)-[alpha-D-galactopyranose-(1-6)]alpha-D-glucopyranose 著者 Meier, E.P.W, Boraston, A.B. 登録日 2019-07-09 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
7CRF	Crystal structure of human TLR8 in complex with CU-CPD107 分子名称: 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... 著者 Sakaniwa, K, Tanji, H, Ohto, U, Shimizu, T. 登録日 2020-08-13 公開日 2021-06-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Tetrasubstituted imidazoles as incognito Toll-like receptor 8 a(nta)gonists. Nat Commun, 12, 2021
6PHY	SpAga D472N structure in complex alpha 1,3 galactobiose 分子名称: 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-06-25 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
6PHW	SpAga D472N structure in complex with melibiose 分子名称: 1,2-ETHANEDIOL, Alpha-galactosidase, L(+)-TARTARIC ACID, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-06-25 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
8Q5U	Endoglycosidase S2 in complex with IgG1 Fc 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-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 Sudol, A.S.L, Tews, I, Crispin, M. 登録日 2023-08-09 公開日 2024-04-17 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 The IgG-specific endoglycosidases EndoS and EndoS2 are distinguished by conformation and antibody recognition. J.Biol.Chem., 300, 2024
6YCF	Structure the bromelain protease from Ananas comosus in complex with the E64 inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, FBSB, ... 著者 Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. 登録日 2020-03-18 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
7CWA	Crystal structure of PDE8A catalytic domain in complex with clofarabine 分子名称: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. 登録日 2020-08-27 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
7CWG	Crystal structure of PDE8A catalytic domain in complex with 3a 分子名称: 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. 登録日 2020-08-28 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
6PI0	AgaD472N-Linear Blood group B type 2 trisaccharide complex structure 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Alpha-galactosidase, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-06-25 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
6YBJ	Structure of MBP-Mcl-1 in complex with compound 3e 分子名称: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ... 著者 Dokurno, P, Surgenor, A.E, Murray, J.B. 登録日 2020-03-17 公開日 2020-11-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor. J.Med.Chem., 63, 2020
7CWF	Crystal structure of PDE8A catalytic domain in complex with 2c 分子名称: 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ... 著者 Huang, Y, Wu, X.-N, Zhou, Q, Wu, Y, Luo, H.-B. 登録日 2020-08-28 公開日 2021-09-01 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Rational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors. J.Med.Chem., 63, 2020
6PHX	SpAga D472N structure in complex with raffinose 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Alpha-galactosidase, ... 著者 Pluvinage, B, Boraston, A.B. 登録日 2019-06-25 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
6YCG	Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor 分子名称: CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ... 著者 Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. 登録日 2020-03-18 公開日 2020-11-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
6PRG	SBP RafE in complex with stachyose 分子名称: 1,2-ETHANEDIOL, ABC transporter sugar-binding protein, CITRIC ACID, ... 著者 Meier, E.P.W, Boraston, A.B. 登録日 2019-07-10 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
6PRE	SBP RafE in complex with verbascose 分子名称: 1,2-ETHANEDIOL, ABC transporter sugar-binding protein, alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-alpha-D-galactopyranose-(1-6)-[beta-D-fructofuranose-(2-1)]alpha-D-glucopyranose 著者 Meier, E.P.W, Boraston, A.B. 登録日 2019-07-10 公開日 2019-10-02 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular analysis of an enigmaticStreptococcus pneumoniaevirulence factor: The raffinose-family oligosaccharide utilization system. J.Biol.Chem., 294, 2019
8QDY	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8 分子名称: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8UKV	Crystal structure of nanobody/VHH domain of 34E5 in complex with the extracellular region of the epidermal growth factor variant III (EGFRvIII) 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, Epidermal growth factor receptor, ... 著者 Stayrook, S.E, Ferguson, K.M, Bagchi, A. 登録日 2023-10-15 公開日 2024-06-19 最終更新日 2024-07-03 実験手法 X-RAY DIFFRACTION (2.94 Å) 主引用文献 Structural insights into the role and targeting of EGFRvIII. Structure, 2024
8OOG	Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket 分子名称: 6-oxidanyl-1,3-benzoxathiol-2-one, DIMETHYL SULFOXIDE, S-ADENOSYLMETHIONINE, ... 著者 Schimpl, M. 登録日 2023-04-05 公開日 2023-07-12 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.384 Å) 主引用文献 Combining structural and coevolution information to unveil allosteric sites. Chem Sci, 14, 2023
8OL9	Anti-FIXa Fab in complex with human des-(Gla-EGF1) FIXa 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Coagulation factor IX heavy chain, ... 著者 Johansson, E, Svensson, L.A. 登録日 2023-03-30 公開日 2023-07-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Computational design of N-linked glycans for high throughput epitope profiling. Protein Sci., 32, 2023
8QE0	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE2	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.109 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE3	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31 分子名称: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.089 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QE1	Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15 分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 著者 Schimpl, M. 登録日 2023-08-30 公開日 2024-03-20 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (1.095 Å) 主引用文献 Development of a Series of Pyrrolopyridone MAT2A Inhibitors. J.Med.Chem., 67, 2024
8QUD	Cryo-EM Structure of Human Kv3.1 in Complex with Modulator AUT5 分子名称: (5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... 著者 Chi, G, Mckinley, G, Marsden, B, Pike, A.C.W, Ye, M, Brooke, L.M, Bakshi, S, Lakshminarayana, B, Pilati, N, Marasco, A, Gunthorpe, M, Alvaro, G.S, Large, C.H, Williams, E, Sauer, D.B. 登録日 2023-10-16 公開日 2024-04-03 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 The binding and mechanism of a positive allosteric modulator of Kv3 channels. Nat Commun, 15, 2024

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