5CRL
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8XR4
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![BU of 8xr4 by Molmil](/molmil-images/mine/8xr4) | Crystal structure of AKRtyl-NADP(H) complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR3
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![BU of 8xr3 by Molmil](/molmil-images/mine/8xr3) | Crystal structure of AKRtyl-apo2 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8XR2
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![BU of 8xr2 by Molmil](/molmil-images/mine/8xr2) | Crystal structure of AKRtyl-apo1 | Descriptor: | Aldo/keto reductase | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2024-01-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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4R9V
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![BU of 4r9v by Molmil](/molmil-images/mine/4r9v) | Crystal structure of sialyltransferase from photobacterium damselae, residues 113-497 corresponding to the gt-b domain | Descriptor: | CALCIUM ION, Sialyltransferase 0160 | Authors: | Li, Y, Huynh, N, Chen, X, Fisher, A.J. | Deposit date: | 2014-09-08 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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4R84
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![BU of 4r84 by Molmil](/molmil-images/mine/4r84) | Crystal structure of Sialyltransferase from Photobacterium damsela with CMP-3F(a)Neu5Ac bound | Descriptor: | CALCIUM ION, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, Sialyltransferase 0160 | Authors: | Fisher, A.J, Chen, X, Li, Y, Huynh, N. | Deposit date: | 2014-08-29 | Release date: | 2014-12-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of sialyltransferase from Photobacterium damselae. Febs Lett., 588, 2014
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4GRB
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![BU of 4grb by Molmil](/molmil-images/mine/4grb) | Casein kinase 2 (CK2) bound to inhibitor | Descriptor: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | Deposit date: | 2012-08-24 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett, 4, 2013
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6N0P
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8IKX
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![BU of 8ikx by Molmil](/molmil-images/mine/8ikx) | An Arabidopsis polygalacturonase PGLR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Xiao, Y, Chai, J. | Deposit date: | 2023-03-01 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity. Science, 383, 2024
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8IKW
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![BU of 8ikw by Molmil](/molmil-images/mine/8ikw) | A complex structure of PGIP-PG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, Endo-polygalacturonase, ... | Authors: | Xiao, Y, Chai, J. | Deposit date: | 2023-03-01 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity. Science, 383, 2024
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/6aej) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-05 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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8JWN
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![BU of 8jwn by Molmil](/molmil-images/mine/8jwn) | Crystal structure of AKRtyl-NADPH complex | Descriptor: | Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8JWO
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8JWL
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8JWK
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![BU of 8jwk by Molmil](/molmil-images/mine/8jwk) | The second purified state crystal structure of AKRtyl | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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8JWM
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![BU of 8jwm by Molmil](/molmil-images/mine/8jwm) | Crystal structure of AKRtyl-NADP-tylosin complex | Descriptor: | Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TYLOSIN | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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6AK4
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![BU of 6ak4 by Molmil](/molmil-images/mine/6ak4) | Crystal structure of human FTO in complex with small-molecule inhibitors | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | Deposit date: | 2018-08-30 | Release date: | 2019-07-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1. Sci Transl Med, 11, 2019
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5VAM
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![BU of 5vam by Molmil](/molmil-images/mine/5vam) | BRAF in Complex with RAF709 | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2017-03-27 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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6IYO
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6J1Z
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![BU of 6j1z by Molmil](/molmil-images/mine/6j1z) | WWP2 semi-open conformation | Descriptor: | NEDD4-like E3 ubiquitin-protein ligase WWP2 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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6IYT
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6J1X
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![BU of 6j1x by Molmil](/molmil-images/mine/6j1x) | WWP1 close conformation | Descriptor: | GLYCEROL, NEDD4-like E3 ubiquitin-protein ligase WWP1 | Authors: | Liu, Z.H. | Deposit date: | 2018-12-30 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases. Nat Commun, 10, 2019
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6JGF
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6JGV
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8JT8
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![BU of 8jt8 by Molmil](/molmil-images/mine/8jt8) | Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(4-fluorophenyl)-4-[(7R)-2,5,11-triazatetracyclo[7.6.1.0^2,7.0^12,16]hexadeca-1(15),9,12(16),13-tetraen-5-yl]butan-1-one, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, S. | Deposit date: | 2023-06-21 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Flexible scaffold-based cheminformatics approach for polypharmacological drug design. Cell, 187, 2024
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