9EY4
 
 | | The FK1 domain of FKBP51 in complex with (3S,11S)-12-((3,5-dichlorophenyl)sulfonyl)-5-oxo-11-vinyldecahydro-1H-6,10-epiminopyrrolo[1,2-a]azonine-3-carboxamide | | 分子名称: | (1~{S},4~{S},7~{S},8~{S},9~{R})-13-[3,5-bis(chloranyl)phenyl]sulfonyl-8-ethenyl-2-oxidanylidene-3,13-diazatricyclo[7.3.1.0^{3,7}]tridecane-4-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | | 著者 | Meyners, C, Krajczy, P, Hausch, F. | | 登録日 | 2024-04-09 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Structure-Based Design of Ultrapotent Tricyclic Ligands for FK506-Binding proteins.
Chemistry, 2024
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8XB9
 | | The Crystal Structure of polo-box domain of PLK1 from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase PLK1 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Meng, Q, Zhang, B. | | 登録日 | 2023-12-06 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | The Crystal Structure of polo-box domain of PLK1 from Biortus
To Be Published
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9EYR
 | | VDR complex with gemini analog UG-480 | | 分子名称: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | 著者 | Rochel, N. | | 登録日 | 2024-04-09 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.
J.Med.Chem., 67, 2024
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8X2T
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9EY6
 | | Crystal structure of human tyrosinase-related protein 1 (TYRP1) | | 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, 5,6-dihydroxyindole-2-carboxylic acid oxidase, ... | | 著者 | Ng, Y.M, Soler-Lopez, M. | | 登録日 | 2024-04-09 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.228 Å) | | 主引用文献 | Interactions of Phenylalanine Derivatives with Human Tyrosinase: Lessons from Experimental and Theoretical tudies.
Chembiochem, 25, 2024
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8VVO
 | | Structure of FabS1CE2-EPR1-1 in complex with the erythropoietin receptor | | 分子名称: | CHLORIDE ION, Erythropoietin receptor, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ... | | 著者 | Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
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8ZWV
 | | The Crystal Structure of carbonic anhydrase II from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ... | | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C. | | 登録日 | 2024-06-13 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The Crystal Structure of carbonic anhydrase II from Biortus.
To Be Published
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8XFY
 | | The Crystal Structure of RSK2 from Biortus. | | 分子名称: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3 | | 著者 | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | | 登録日 | 2023-12-14 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | The Crystal Structure of RSK2 from Biortus.
To Be Published
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8WF5
 | | Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2)) | | 分子名称: | GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ... | | 著者 | Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T. | | 登録日 | 2023-09-19 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity.
Angew.Chem.Int.Ed.Engl., 2024
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8X2A
 | | The Crystal Structure of BMX from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, CHLORIDE ION, ... | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | | 登録日 | 2023-11-09 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | The Crystal Structure of BMX from Biortus.
To Be Published
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9F40
 | | Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound | | 分子名称: | ACETONITRILE, DI(HYDROXYETHYL)ETHER, ERGOSTEROL, ... | | 著者 | Nel, L, Olesen, E, Frain, K.M, Pedersen, B.P. | | 登録日 | 2024-04-26 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural and biochemical analysis of ligand binding in yeast Niemann-Pick type C 1-related protein
To Be Published
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8X5K
 | | The Crystal Structure of SYK from Biortus. | | 分子名称: | 1,2-ETHANEDIOL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase SYK | | 著者 | Wang, F, Cheng, W, Yuan, Z, Qi, J, Shen, Z. | | 登録日 | 2023-11-17 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Crystal Structure of SYK from Biortus.
To Be Published
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9F4L
 | | UP1 in complex with Z104584152 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N,N-dimethyl-N~2~-phenylglycinamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9F4H
 | | UP1 in complex with Z106579662 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-27 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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9ATI
 | | Crystal structure of MERS 3CL protease in complex with a racemic bicyclo[2.2.1]heptenyl-methyl 2-pyrrolidone inhibitor | | 分子名称: | (1R,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(3S)-1-{[(1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5 | | 著者 | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9F4N
 | | UP1 in complex with Z137811222 | | 分子名称: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8YJ7
 | | Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA | | 分子名称: | Iron ABC transporter substrate-binding lipoprotein MtsA, ZINC ION, scFv13 | | 著者 | Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K. | | 登録日 | 2024-03-01 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA.
Protein Sci., 33, 2024
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7Q5B
 | | Cryo-EM structure of Ty3 retrotransposon targeting a TFIIIB-bound tRNA gene | | 分子名称: | DNA (19-MER), DNA (31-MER), DNA (34-MER), ... | | 著者 | Abascal-Palacios, G, Jochem, L, Pla-Prats, C, Beuron, F, Vannini, A. | | 登録日 | 2021-11-03 | | 公開日 | 2022-01-26 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Structural basis of Ty3 retrotransposon integration at RNA Polymerase III-transcribed genes.
Nat Commun, 12, 2021
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9F4M
 | | UP1 in complex with Z1401276297 | | 分子名称: | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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6UQK
 | | Cryo-EM structure of type 3 IP3 receptor revealing presence of a self-binding peptide | | 分子名称: | ZINC ION, inositol 1,4,5-triphosphate receptor, type 3 | | 著者 | Azumaya, C.M, Linton, E.A, Risener, C.J, Nakagawa, T, Karakas, E. | | 登録日 | 2019-10-20 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.77 Å) | | 主引用文献 | Cryo-EM structure of human type-3 inositol triphosphate receptor reveals the presence of a self-binding peptide that acts as an antagonist.
J.Biol.Chem., 295, 2020
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9F3X
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9AT0
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (S-enantiomer) | | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2024-02-26 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies.
J.Med.Chem., 2024
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9F55
 | | UP1 in complex with Z235361315 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8ZM1
 | | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | | 分子名称: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | | 著者 | Akai, S, Orita, T, Nomura, A, Adachi, T. | | 登録日 | 2024-05-22 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
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9F51
 | | UP1 in complex with Z608065044 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | | 著者 | Dunnett, L, Prischi, F. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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