7L5L
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7L5K
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![BU of 7l5k by Molmil](/molmil-images/mine/7l5k) | Crystal structure of the DiB-RM protein | Descriptor: | DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ... | Authors: | Bozhanova, N.G, Harp, J.M, Meiler, J. | Deposit date: | 2020-12-22 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Computational redesign of a fluorogen activating protein with Rosetta. Plos Comput.Biol., 17, 2021
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4UAB
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![BU of 4uab by Molmil](/molmil-images/mine/4uab) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-08-08 | Release date: | 2014-09-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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3CPC
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![BU of 3cpc by Molmil](/molmil-images/mine/3cpc) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | Descriptor: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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4JIK
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5IME
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![BU of 5ime by Molmil](/molmil-images/mine/5ime) | Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9 | Descriptor: | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1 | Authors: | Li, D, Wang, W. | Deposit date: | 2016-03-06 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.217 Å) | Cite: | Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J.Med.Chem., 59, 2016
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3CPB
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![BU of 3cpb by Molmil](/molmil-images/mine/3cpb) | Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor | Descriptor: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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8W2F
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![BU of 8w2f by Molmil](/molmil-images/mine/8w2f) | Plasmodium falciparum 20S proteasome bound to an inhibitor | Descriptor: | (3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | Authors: | Han, Y, Deng, X, Ray, S, Chen, Z, Phillips, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-31 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Identification of potent and reversible piperidine carboxamides that are species-selective orally active proteasome inhibitors to treat malaria. Cell Chem Biol, 31, 2024
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8GYB
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8GYA
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8GY4
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![BU of 8gy4 by Molmil](/molmil-images/mine/8gy4) | Crystal structure of Alongshan virus methyltransferase | Descriptor: | Methyltransferase | Authors: | Chen, H, Lin, S, Lu, G.W. | Deposit date: | 2022-09-21 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses. Plos Pathog., 19, 2023
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8GY9
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8H5U
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![BU of 8h5u by Molmil](/molmil-images/mine/8h5u) | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ... | Authors: | Yang, J, Lin, S, Lu, G.W. | Deposit date: | 2022-10-13 | Release date: | 2023-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization. Plos Pathog., 19, 2023
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8H5T
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3CP9
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![BU of 3cp9 by Molmil](/molmil-images/mine/3cp9) | Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | Descriptor: | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | Authors: | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | Deposit date: | 2008-03-31 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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6WK1
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![BU of 6wk1 by Molmil](/molmil-images/mine/6wk1) | SETD3 in Complex with an Actin Peptide with His73 Replaced with Methionine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | Authors: | Dai, S, Horton, J.R, Cheng, X. | Deposit date: | 2020-04-15 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Characterization of SETD3 methyltransferase-mediated protein methionine methylation. J.Biol.Chem., 295, 2020
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6WTT
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![BU of 6wtt by Molmil](/molmil-images/mine/6wtt) | Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Sacco, M, Ma, C, Chen, Y, Wang, J. | Deposit date: | 2020-05-03 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease. Cell Res., 30, 2020
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1LBA
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7QXI
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7QV9
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7QWP
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![BU of 7qwp by Molmil](/molmil-images/mine/7qwp) | CryoEM structure of bacterial transcription close complex (RPc) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Ye, F.Z, Zhang, X.D. | Deposit date: | 2022-01-25 | Release date: | 2022-11-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanisms of DNA opening revealed in AAA+ transcription complex structures. Sci Adv, 8, 2022
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7RN0
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7RN1
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6WEA
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![BU of 6wea by Molmil](/molmil-images/mine/6wea) | YTH domain of human YTHDC1 with a 10mer Oligo Containing N6mA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*CP*GP*GP*(6MA)P*CP*TP*TP*C)-3'), SODIUM ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2020-04-01 | Release date: | 2020-07-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biochemical and structural basis for YTH domain of human YTHDC1 binding to methylated adenine in DNA. Nucleic Acids Res., 48, 2020
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5YSW
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![BU of 5ysw by Molmil](/molmil-images/mine/5ysw) | Crystal Structure Analysis of Rif16 in complex with R-L | Descriptor: | (2S,12E,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yl hydroxyacetate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Li, F.W, Qi, F.F, Xiao, Y.L, Zhao, G.P, Li, S.Y. | Deposit date: | 2017-11-15 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Deciphering the late steps of rifamycin biosynthesis. Nat Commun, 9, 2018
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