8I38
 
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8I3A
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8I2H
 | | Follicle stimulating hormone receptor | | Descriptor: | Follicle-stimulating hormone receptor | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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8I2G
 | | FSHR-Follicle stimulating hormone-compound 716340-Gs complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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8C6P
 | | Fragment screening hit I bound to endothiapepsin | | Descriptor: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | Descriptor: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C71
 | | Pyrrolidine fragment 5b bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C72
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | Descriptor: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | Descriptor: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6S
 | | Fragment screening hit III bound to endothiapepsin | | Descriptor: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | Descriptor: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | Authors: | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-01-12 | | Release date: | 2023-05-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
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8C6N
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8C6M
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8C6L
 | | Human protein kinase CK2 alpha in complex with CK2-TN01 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | | Deposit date: | 2023-01-12 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma
to be published
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8C6J
 | | Human spliceosomal PM5 C* complex | | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ... | | Authors: | Dybkov, O, Kastner, B, Luehrmann, R. | | Deposit date: | 2023-01-12 | | Release date: | 2023-07-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Regulation of 3' splice site selection after step 1 of splicing by spliceosomal C* proteins.
Sci Adv, 9, 2023
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8C6D
 | | Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate. | | Descriptor: | (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol, Genome polyprotein, Genome polyprotein (Fragment) | | Authors: | Kingston, N.J, Snowden, J.S, Stonehouse, N.J, Rowlands, D.J, Hogle, J.M. | | Deposit date: | 2023-01-11 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Production of antigenically stable enterovirus A71 virus-like particles in Pichia pastoris as a vaccine candidate.
Biorxiv, 2023
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8FT8
 | | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation | | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | | Deposit date: | 2023-01-11 | | Release date: | 2023-03-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
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8FT6
 | | The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Ala-Ala linker variant, SUMO tag-free preparation. | | Descriptor: | CITRIC ACID, IODIDE ION, SULFATE ION, ... | | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | | Deposit date: | 2023-01-11 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
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8I0M
 | | Structure of CDK6 in complex with inhibitor | | Descriptor: | 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | Authors: | Jiang, C, Ye, Y, Huang, Y. | | Deposit date: | 2023-01-11 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7772 Å) | | Cite: | Structure of CDK6 in complex with inhibitor
To Be Published
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8FT2
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8FSW
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8FSU
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8FSV
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8FST
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