5KI2
 
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6UKJ
 | | Single-Particle Cryo-EM Structure of Plasmodium falciparum Chloroquine Resistance Transporter (PfCRT) 7G8 Isoform | | 分子名称: | CHOLESTEROL HEMISUCCINATE, Chloroquine resistance transporter, Fab Heavy Chain, ... | | 著者 | Kim, J, Tan, Y.Z, Wicht, K.J, Erramilli, S.K, Dhingra, S.K, Okombo, J, Vendome, J, Hagenah, L.M, Giacometti, S.I, Warren, A.L, Nosol, K, Roepe, P.D, Potter, C.S, Carragher, B, Kossiakoff, A.A, Quick, M, Fidock, D.A, Mancia, F. | | 登録日 | 2019-10-05 | | 公開日 | 2019-12-04 | | 最終更新日 | 2020-01-08 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure and drug resistance of the Plasmodium falciparum transporter PfCRT.
Nature, 576, 2019
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6EIF
 | | DYRK1A in complex with XMD7-117 | | 分子名称: | 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Rothweiler, U. | | 登録日 | 2017-09-19 | | 公開日 | 2018-08-29 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.
J. Med. Chem., 61, 2018
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8ROY
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 24 | | 分子名称: | 1-[5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-3-methyl-furan-2-yl]carbonyl-~{N}-methyl-piperidine-4-carboxamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | 著者 | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | 登録日 | 2024-01-12 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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8RQF
 | | Cryo-EM structure of human NTCP-Bulevirtide complex | | 分子名称: | Fab-specific nanobody, Heavy chain of Fab3, Light chain of Fab3, ... | | 著者 | Liu, H, Zakrzewicz, D, Nosol, K, Irobalieva, R.N, Mukherjee, S, Bang-Soerensen, R, Goldmann, N, Kunz, S, Rossi, L, Kossiakoff, A.A, Urban, S, Glebe, D, Geyer, J, Locher, K.P. | | 登録日 | 2024-01-18 | | 公開日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.41 Å) | | 主引用文献 | Cryo-EM structure of human NTCP-Bulevirtide complex
To Be Published
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5KEQ
 | | High resolution cryo-EM maps of Human papillomavirus 16 reveal L2 location and heparin-induced conformational changes | | 分子名称: | Major capsid protein L1 | | 著者 | Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S. | | 登録日 | 2016-06-10 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Cryoelectron Microscopy Maps of Human Papillomavirus 16 Reveal L2 Densities and Heparin Binding Site.
Structure, 25, 2017
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5KI3
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2WG1
 | | TERNARY COMPLEX OF THE AGED CONJUGATE OF TORPEDO CALIFORNICA ACEYLCHOLINESTERASE WITH SOMAN AND 2-PAM | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | 登録日 | 2009-04-15 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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3FQA
 | | Gabaculien complex of gabaculine resistant GSAM version | | 分子名称: | 3-AMINOBENZOIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Glutamate-1-semialdehyde 2,1-aminomutase | | 著者 | Stetefeld, J. | | 登録日 | 2009-01-07 | | 公開日 | 2009-11-24 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Absence of a catalytic water confers resistance to the neurotoxin gabaculine.
Faseb J., 24, 2010
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1ZQB
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1ZQJ
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5KIG
 | | PSEUDO T4 LYSOZYME MUTANT - Y88F | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, Endolysin | | 著者 | Scholfield, M.R. | | 登録日 | 2016-06-16 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
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8RF3
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data | | 分子名称: | 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | | 登録日 | 2023-12-12 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
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1ZQF
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1ZQM
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8RFD
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data | | 分子名称: | (1~{R})-1-(4-iodophenyl)ethanamine, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | | 登録日 | 2023-12-12 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
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1ZQA
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8RF4
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data | | 分子名称: | 4-chloranyl-1~{H}-indazol-3-amine, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | | 登録日 | 2023-12-12 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
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1ZQK
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2WFZ
 | | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN | | 分子名称: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | | 登録日 | 2009-04-15 | | 公開日 | 2009-08-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime.
J.Med.Chem., 52, 2009
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8RJX
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5KIM
 | | PSEUDO T4 LYSOZYME MUTANT - Y88PHE-I | | 分子名称: | 2-HYDROXYETHYL DISULFIDE, Endolysin, SODIUM ION | | 著者 | Scholfield, M.R. | | 登録日 | 2016-06-16 | | 公開日 | 2017-04-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
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5NDF
 | | Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation | | 分子名称: | 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ... | | 著者 | Hurtado-Guerrero, R, De las Rivas, M. | | 登録日 | 2017-03-08 | | 公開日 | 2017-11-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein.
J. Biol. Chem., 292, 2017
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8RFC
 | | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data | | 分子名称: | (1~{R})-1-(4-bromophenyl)ethanamine, Host translation inhibitor nsp1 | | 著者 | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | | 登録日 | 2023-12-12 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
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1ZQE
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