8WYP
 
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9F4D
 | | UP1 in complex with Z1203107138 | | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 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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8XV9
 | | Fedratinib-bound human SLC19A3 | | Descriptor: | N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Soluble cytochrome b562,Thiamine transporter 2 | | Authors: | Dang, Y, Wang, G.P, Zhang, Z. | | Deposit date: | 2024-01-14 | | Release date: | 2024-03-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 34, 2024
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8OQD
 | | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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5HBV
 | | Complex structure of Fab35 and mouse nAChR alpha1 | | Descriptor: | Acetylcholine receptor subunit alpha 1, Alpha-bungarotoxin isoform V31, Fab35, ... | | Authors: | Noridomi, K, Watanabe, G, Hansen, M.N, Han, G.W, Chen, L. | | Deposit date: | 2016-01-02 | | Release date: | 2017-05-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into the molecular mechanisms of myasthenia gravis and their therapeutic implications.
Elife, 6, 2017
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9F9L
 | | Crystal structure of MUS81-EME1 bound by compound 16. | | Descriptor: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | | Authors: | Collie, G.W. | | Deposit date: | 2024-05-07 | | Release date: | 2024-07-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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9BKW
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8ZH5
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9F4N
 | | UP1 in complex with Z137811222 | | Descriptor: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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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8W1D
 | | CRYSTAL STRUCTURE OF DPS-LIKE PROTEIN PA4880 FROM PSEUDOMONAS AERUGINOSA (DIMERIC FORM) | | Descriptor: | DPS-LIKE PROTEIN, FE (II) ION | | Authors: | Lovell, S, Battaile, K.P, Rivera, M. | | Deposit date: | 2024-02-15 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
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8OQE
 | | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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8XEY
 | | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3 | | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
To Be Published
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8YHR
 | | DHODH in complex with furocoumavirin | | Descriptor: | 4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Hara, K, Okumura, H, Nakahara, M, Sato, M, Hashimoto, H, Osada, H, Watanabe, K. | | Deposit date: | 2024-02-28 | | Release date: | 2024-05-22 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Analyses of Inhibition of Human Dihydroorotate Dehydrogenase by Antiviral Furocoumavirin.
Biochemistry, 63, 2024
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9C0O
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8XCM
 | | Cryo-EM Structure of Membrane-bound Fructose Dehydrogenase from Gluconobacter japonicus variant-N1146Q | | Descriptor: | FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Fructose dehydrogenase cytochrome subunit, ... | | Authors: | Fukawa, E, Miyata, T, Makino, F, Adachi, T, Suzuki, Y, Tanaka, H, Namba, K, Sowa, K, Kitazumi, Y, Shirai, O. | | Deposit date: | 2023-12-09 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural and electrochemical elucidation of biocatalytic mechanisms in direct electron transfer-type D-fructose dehydrogenase.
Electrochim Acta, 490, 2024
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8OQF
 | | Cross-linked crystal of Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (low temperature data collection) | | Descriptor: | (mi2-acetato-O, O')-hexaaquo-dirhodium (II), CHLORIDE ION, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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8YF1
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9F4G
 | | UP1 in complex with Z1373445602 | | Descriptor: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-27 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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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8ZM2
 | | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16 | | Descriptor: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate | | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | | Deposit date: | 2024-05-22 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase.
Bioorg.Med.Chem.Lett., 109, 2024
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9F4U
 | | UP1 in complex with Z111529496 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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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8XFY
 | | The Crystal Structure of RSK2 from Biortus. | | Descriptor: | 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol, Ribosomal protein S6 kinase alpha-3 | | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | | Deposit date: | 2023-12-14 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The Crystal Structure of RSK2 from Biortus.
To Be Published
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8OVZ
 | | Crystal structure of D1228V c-MET bound by compound 16 | | Descriptor: | 1-[(1S)-1-[3-(1H-imidazol-4-yl)phenyl]ethyl]-5-(1H-indazol-7-yl)pyrimidine-2,4-dione, Hepatocyte growth factor receptor, IODIDE ION | | Authors: | Collie, G.W. | | Deposit date: | 2023-04-26 | | Release date: | 2023-07-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.206 Å) | | Cite: | Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor.
J.Med.Chem., 66, 2023
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9F54
 | | UP1 in complex with EN300-197154 | | Descriptor: | 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 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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8W0Z
 | | Human LCAD complexed with Lauric Acid | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LAURIC ACID, Long-chain specific acyl-CoA dehydrogenase, ... | | Authors: | Xia, C, Kim, J.J.P. | | Deposit date: | 2024-02-14 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for expanded substrate specificities of human long chain acyl-CoA dehydrogenase and related acyl-CoA dehydrogenases.
Sci Rep, 14, 2024
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9F4P
 | | UP1 in complex with Z1217960891 | | Descriptor: | (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 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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