2N07
| Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1 | Descriptor: | Alpha-conotoxin Vc1A | Authors: | Yu, R, Seymour, V, Berecki, G, Jia, X, Akcan, M, Adams, D, Kaas, Q, Craik, D. | Deposit date: | 2015-03-04 | Release date: | 2016-04-13 | Method: | SOLUTION NMR | Cite: | Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1. To be Published
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5Z38
| Crystal structure of CsrA bound to CesT | Descriptor: | CesT protein, Truncated-CsrA, wild type CsrA | Authors: | Ye, F, Yang, F, Yu, R, Lin, X, Qi, J, Chen, Z, Gao, G.F, Lu, G. | Deposit date: | 2018-01-05 | Release date: | 2018-04-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Molecular basis of binding between the global post-transcriptional regulator CsrA and the T3SS chaperone CesT Nat Commun, 9, 2018
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6MGU
| Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus Anthracis in the complex with inhibitor Oxanosine monophosphate | Descriptor: | 1,2-ETHANEDIOL, 5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, Y, Maltseva, N, Yu, R, Hedstrom, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-14 | Release date: | 2018-10-24 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus Anthracis in the complex with inhibitor Oxanosine monophosphate To Be Published
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6MGR
| Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor Oxanosine monophosphate | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(Z)-(aminomethylidene)amino]-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Yu, R, Hedstrom, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-09-14 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor Oxanosine Monophosphate To Be Published
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8WTW
| Cryo-EM structure of noradrenaline transporter in complex with a x-MrlA analogue | Descriptor: | CHLORIDE ION, MrlA, O-methyl-L-tyrosine, ... | Authors: | Zhao, Y, Hu, T, Yu, Z. | Deposit date: | 2023-10-19 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Transport and inhibition mechanisms of the human noradrenaline transporter. Nature, 632, 2024
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8WTU
| Cryo-EM structure of noradrenaline transporter in apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium-dependent noradrenaline transporter | Authors: | Zhao, Y, Hu, T, Yu, Z. | Deposit date: | 2023-10-19 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Transport and inhibition mechanisms of the human noradrenaline transporter. Nature, 632, 2024
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8WTX
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8WTY
| Cryo-EM structure of noradrenaline transporter in complex with ziprasidone | Descriptor: | 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one, Sodium-dependent noradrenaline transporter | Authors: | Zhao, Y, Hu, T, Yu, Z. | Deposit date: | 2023-10-19 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Transport and inhibition mechanisms of the human noradrenaline transporter. Nature, 632, 2024
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8WTV
| Cryo-EM structure of noradrenaline transporter in complex with noradrenaline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Noradrenaline, ... | Authors: | Zhao, Y, Hu, T, Yu, Z. | Deposit date: | 2023-10-19 | Release date: | 2024-08-07 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Transport and inhibition mechanisms of the human noradrenaline transporter. Nature, 632, 2024
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4FN5
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4ANV
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANW
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANX
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANU
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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3UW4
| Crystal structure of cIAP1 BIR3 bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | Authors: | Maurer, B, Hymowitz, S. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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3UW5
| Crystal structure of the BIR domain of MLIAP bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | Authors: | Maurer, B, Hymowitz, S.G. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
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7V7M
| crystal structure of SARS-CoV-2 3CL protease | Descriptor: | 3C-like proteinase | Authors: | Yi, Y, Zhang, M, Ye, M. | Deposit date: | 2021-08-21 | Release date: | 2022-06-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19. Acta Pharm Sin B, 12, 2022
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