3JTW
 
 | |
6R3K
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | 分子名称: | (2~{S},4~{R})-1-[[5-chloranyl-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, Programmed cell death 1 ligand 1 | | 著者 | Zak, K.M, Grudnik, P, Skalniak, L, Dubin, G, Holak, T.A. | | 登録日 | 2019-03-20 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
|
|
7FIP
 | | The native structure of beta-1,2-mannobiose phosphorylase from Thermoanaerobacter sp. | | 分子名称: | Beta-1,2-mannobiose phosphorylase, ZINC ION | | 著者 | Dai, L, Chang, Z, Yang, J, Liu, W, Yang, Y, Chen, C.-C, Zhang, L, Huang, J, Sun, Y, Guo, R.-T. | | 登録日 | 2021-08-01 | | 公開日 | 2022-01-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Structural investigation of a thermostable 1,2-beta-mannobiose phosphorylase from Thermoanaerobacter sp. X-514.
Biochem.Biophys.Res.Commun., 579, 2021
|
|
9DBK
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8) | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Neumann, B, McCarthy, S, Gonen, S. | | 登録日 | 2024-08-23 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
|
|
4IR8
 | | 1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii | | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Sedoheptulose-1,7 bisphosphatase, ... | | 著者 | Minasov, G, Ruan, J, Wawrzak, Z, Halavaty, A, Shuvalova, L, Harb, O.S, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-01-14 | | 公開日 | 2013-01-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 1.85 Angstrom Crystal Structure of Putative Sedoheptulose-1,7 bisphosphatase from Toxoplasma gondii.
TO BE PUBLISHED
|
|
5FTG
 | | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | | 分子名称: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | | 著者 | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | | 登録日 | 2016-01-13 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1)
Sci.Rep., 6, 2016
|
|
9DBL
 | | Full-length apo human voltage-gated sodium channel 1.8 (NaV1.8), class I | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Neumann, B, McCarthy, S, Gonen, S. | | 登録日 | 2024-08-23 | | 公開日 | 2025-02-19 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Structural basis of inhibition of human Na V 1.8 by the tarantula venom peptide Protoxin-I.
Nat Commun, 16, 2025
|
|
6H5X
 | |
7CX8
 | | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine | | 分子名称: | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... | | 著者 | Stanfield, J.K, Sugimoto, H, Shoji, O. | | 登録日 | 2020-09-01 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution
To Be Published
|
|
3KRB
 | |
5KKB
 | | Structure of mouse Golgi alpha-1,2-mannosidase IA and Man9GlcNAc2-PA complex | | 分子名称: | 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | | 著者 | Xiang, Y, Moremen, K.W. | | 登録日 | 2016-06-21 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.774 Å) | | 主引用文献 | Substrate recognition and catalysis by GH47 alpha-mannosidases involved in Asn-linked glycan maturation in the mammalian secretory pathway.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
9FZ0
 | | Crystal structure of SusG from Bacteroides thetaiotaomicron covalently bound to alpha-1,6 branched pseudo-trisaccharide activity-based probe | | 分子名称: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, ... | | 著者 | Pickles, I.B, Moroz, O, Davies, G. | | 登録日 | 2024-07-04 | | 公開日 | 2024-12-11 | | 最終更新日 | 2025-02-05 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Precision Activity-Based alpha-Amylase Probes for Dissection and Annotation of Linear and Branched-Chain Starch-Degrading Enzymes.
Angew.Chem.Int.Ed.Engl., 64, 2025
|
|
3KLM
 | | 17beta-HSD1 in complex with DHT | | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, Estradiol 17-beta-dehydrogenase 1, GLYCEROL | | 著者 | Mazumdar, M. | | 登録日 | 2009-11-08 | | 公開日 | 2010-04-21 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 17beta-hydroxysteroid dehydrogenase type 1 stimulates breast cancer by dihydrotestosterone inactivation in addition to estradiol production.
Mol.Endocrinol., 24, 2010
|
|
6BLQ
 | | Crystal Structure of IAg7 in complex with insulin mimotope p8E9E | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wang, Y, Dai, S. | | 登録日 | 2017-11-11 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | C-terminal modification of the insulin B:11-23 peptide creates superagonists in mouse and human type 1 diabetes.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6JIZ
 | | Apo structure of an imine reductase at 1.76 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, 3-ethylheptane, 6-phosphogluconate dehydrogenase NAD-binding protein, ... | | 著者 | Li, H, Wu, L, Zheng, G.W, Zhou, J.H. | | 登録日 | 2019-02-24 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.763 Å) | | 主引用文献 | Apo structure of an imine reductase at 1.76 Angstrom resolution
To Be Published
|
|
3M07
 | | 1.4 Angstrom Resolution Crystal Structure of Putative alpha Amylase from Salmonella typhimurium. | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2010-03-02 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 1.4 Angstrom Resolution Crystal Structure of Putative alpha Amylase from Salmonella typhimurium.
TO BE PUBLISHED
|
|
3QM3
 | | 1.85 Angstrom Resolution Crystal Structure of Fructose-bisphosphate Aldolase (Fba) from Campylobacter jejuni | | 分子名称: | CHLORIDE ION, FORMIC ACID, Fructose-bisphosphate aldolase, ... | | 著者 | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-02-03 | | 公開日 | 2011-02-23 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | 1.85 Angstrom Resolution Crystal Structure of Fructose-bisphosphate Aldolase (Fba) from Campylobacter jejuni
TO BE PUBLISHED
|
|
3MST
 | |
4RPB
 | |
4S2J
 | |
4DUN
 | | 1.76A X-ray Crystal Structure of a Putative Phenazine Biosynthesis PhzC/PhzF Protein from Clostridium difficile (strain 630) | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICKEL (II) ION, Putative phenazine biosynthesis PhzC/PhzF protein, ... | | 著者 | Brunzelle, J.S, Wawrzak, W, Kudritska, M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-02-22 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | 1.76A X-ray Crystal Structure of a Putative Phenazine Biosynthesis PhzC/PhzF Protein from Clostridium difficile (strain 630)
To be Published
|
|
4DB3
 | | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus. | | 分子名称: | CHLORIDE ION, GLYCEROL, N-acetyl-D-glucosamine kinase, ... | | 著者 | Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-01-13 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus.
TO BE PUBLISHED
|
|
6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | 分子名称: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | 登録日 | 2018-07-02 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
|
|
6AEK
 | | Crystal structure of ENPP1 in complex with pApG | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... | | 著者 | Kato, K, Nishimasu, H, Hirano, S, Hirano, H, Ishitani, R, Nureki, O. | | 登録日 | 2018-08-05 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural insights into cGAMP degradation by Ecto-nucleotide pyrophosphatase phosphodiesterase 1.
Nat Commun, 9, 2018
|
|
5TQS
 | |
