8V04
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![BU of 8v04 by Molmil](/molmil-images/mine/8v04) | High resolution TMPRSS2 structure following acylation by nafamostat | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Levon, H, Arrowsmith, C. | Deposit date: | 2023-11-16 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | High resolution TMPRSS2 structure following acylation by nafamostat To Be Published
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8W3V
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![BU of 8w3v by Molmil](/molmil-images/mine/8w3v) | Crystal structure of human WDR41 | Descriptor: | WD repeat-containing protein 41 | Authors: | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-02-22 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human WDR41 To be published
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8VL7
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![BU of 8vl7 by Molmil](/molmil-images/mine/8vl7) | Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/8v1f) | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | Descriptor: | 1,2-ETHANEDIOL, 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, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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5Y5N
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![BU of 5y5n by Molmil](/molmil-images/mine/5y5n) | Crystal structure of human Sirtuin 2 in complex with a selective inhibitor | Descriptor: | 2-[[3-(2-phenylethoxy)phenyl]amino]benzamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | Authors: | Mellini, P, Itoh, Y, Tsumoto, H, Li, Y, Suzuki, M, Tokuda, N, Kakizawa, T, Miura, Y, Takeuchi, J, Lahtela-Kakkonen, M, Suzuki, T. | Deposit date: | 2017-08-09 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent mechanism-based sirtuin-2-selective inhibition by anin situ-generated occupant of the substrate-binding site, "selectivity pocket" and NAD+-binding site. Chem Sci, 8, 2017
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7EU9
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![BU of 7eu9 by Molmil](/molmil-images/mine/7eu9) | Crystal structure of the selenomethionine(SeMet)-derived Cas12i1 R-loop complex before target DNA cleavage | Descriptor: | CITRIC ACID, Cas12i1 D647A mutant, DNA (24-MER), ... | Authors: | Zhang, B, Luo, D.Y, Li, Y, OuYang, S.Y. | Deposit date: | 2021-05-16 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanistic insights into the R-loop formation and cleavage in CRISPR-Cas12i1. Nat Commun, 12, 2021
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7EP2
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![BU of 7ep2 by Molmil](/molmil-images/mine/7ep2) | Crystal structure of ZYG11B bound to GGFN degron | Descriptor: | Protein zyg-11 homolog B | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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7EP5
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![BU of 7ep5 by Molmil](/molmil-images/mine/7ep5) | Crystal structure of ZER1 bound to GKLH degron | Descriptor: | Protein zer-1 homolog | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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7EP0
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![BU of 7ep0 by Molmil](/molmil-images/mine/7ep0) | Crystal structure of ZYG11B bound to GSTE degron | Descriptor: | Protein zyg-11 homolog B, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2021-09-01 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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7EP3
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![BU of 7ep3 by Molmil](/molmil-images/mine/7ep3) | Crystal structure of ZER1 bound to GAGN degron | Descriptor: | Protein zer-1 homolog | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.513 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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7EP1
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![BU of 7ep1 by Molmil](/molmil-images/mine/7ep1) | Crystal structure of ZYG11B bound to GFLH degron | Descriptor: | Protein zyg-11 homolog B | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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7EP4
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![BU of 7ep4 by Molmil](/molmil-images/mine/7ep4) | Crystal structure of ZER1 bound to GFLH degron | Descriptor: | Protein zer-1 homolog | Authors: | Yan, X, Li, Y. | Deposit date: | 2021-04-26 | Release date: | 2021-07-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Molecular basis for recognition of Gly/N-degrons by CRL2 ZYG11B and CRL2 ZER1 . Mol.Cell, 81, 2021
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5WZX
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![BU of 5wzx by Molmil](/molmil-images/mine/5wzx) | Structural basis for a pentacyclic oleanane-type triterpenoid as a ligand of FXR | Descriptor: | (4aR,6aR,6aS,6bS,8aS,9R,12aR,14bR)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanylidene-1,3,4,5,6,6a,7,8,8a,9,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (R,R)-2,3-BUTANEDIOL, Bile acid receptor, ... | Authors: | Lu, Y, Li, Y. | Deposit date: | 2017-01-19 | Release date: | 2018-01-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification of an Oleanane-Type Triterpene Hedragonic Acid as a Novel Farnesoid X Receptor Ligand with Liver Protective Effects and Anti-inflammatory Activity Mol. Pharmacol., 93, 2018
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6LIT
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![BU of 6lit by Molmil](/molmil-images/mine/6lit) | Estrogen-related receptor beta(ERR2) in complex with BPA | Descriptor: | 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2 | Authors: | Yao, B.Q, Li, Y. | Deposit date: | 2019-12-13 | Release date: | 2020-10-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta. J.Mol.Biol., 432, 2020
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8I2N
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![BU of 8i2n by Molmil](/molmil-images/mine/8i2n) | The RIPK1 kinase domain in complex with QY7-2B compound | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide | Authors: | Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F. | Deposit date: | 2023-01-14 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The RIPK1 kinase domain in complex with QY7-2B compound To Be Published
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7X8O
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![BU of 7x8o by Molmil](/molmil-images/mine/7x8o) | NMR Solution Structure of the 2:1 Coptisine-KRAS-G4 Complex | Descriptor: | 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7X8N
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![BU of 7x8n by Molmil](/molmil-images/mine/7x8n) | NMR Solution Structure of the Wild-type Bulge-containing KRAS-G4 | Descriptor: | DNA (24-mer) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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7X8M
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![BU of 7x8m by Molmil](/molmil-images/mine/7x8m) | NMR Solution Structure of the 2:1 Berberine-KRAS-G4 Complex | Descriptor: | BERBERINE, DNA (24-MER) | Authors: | Wang, K.B, Liu, Y, Li, J, Xiao, C, Gu, W, Li, Y, Xia, Y.Z, Yan, T, Yang, M.H, Kong, L.Y. | Deposit date: | 2022-03-14 | Release date: | 2022-09-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insight into the bulge-containing KRAS oncogene promoter G-quadruplex bound to berberine and coptisine. Nat Commun, 13, 2022
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8OI3
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![BU of 8oi3 by Molmil](/molmil-images/mine/8oi3) | Structure of NopD with AtSUMO2 | Descriptor: | Small ubiquitin-related modifier 2, Type III effector, prop-2-en-1-amine | Authors: | Reverter, D, Li, Y. | Deposit date: | 2023-03-22 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of NopD with AtSUMO2 To Be Published
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5Z12
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![BU of 5z12 by Molmil](/molmil-images/mine/5z12) | A structure of FXR/RXR | Descriptor: | (9cis)-retinoic acid, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate, Bile acid receptor, ... | Authors: | Lu, Y, Li, Y. | Deposit date: | 2017-12-23 | Release date: | 2018-07-04 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR J. Biol. Chem., 293, 2018
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6KTR
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![BU of 6ktr by Molmil](/molmil-images/mine/6ktr) | Crystal structure of fibroblast growth factor 19 in complex with Fab | Descriptor: | Fibroblast growth factor 19, G1A8-Fab-HC, G1A8-Fab-LC, ... | Authors: | Liu, H, Zheng, S, Hou, X, Liu, X, Lv, X, Li, Y, Li, W, Sui, J. | Deposit date: | 2019-08-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.59775758 Å) | Cite: | Novel Abs targeting the N-terminus of fibroblast growth factor 19 inhibit hepatocellular carcinoma growth without bile-acid-related side-effects. Cancer Sci., 111, 2020
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6KG7
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![BU of 6kg7 by Molmil](/molmil-images/mine/6kg7) | Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | Deposit date: | 2019-07-11 | Release date: | 2019-09-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2. Nature, 573, 2019
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8H1C
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![BU of 8h1c by Molmil](/molmil-images/mine/8h1c) | Cryo-EM structure of Oryza sativa plastid glycyl-tRNA synthetase in complex with two tRNAs (one in tRNA binding state and the other in tRNA locked state) | Descriptor: | Glycine--tRNA ligase, tRNA(gly) (74-MER) | Authors: | Yu, Z, Wu, Z, Li, Y, Lu, G, Lin, J. | Deposit date: | 2022-10-02 | Release date: | 2023-04-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural basis of a two-step tRNA recognition mechanism for plastid glycyl-tRNA synthetase. Nucleic Acids Res., 51, 2023
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8FPE
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![BU of 8fpe by Molmil](/molmil-images/mine/8fpe) | Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-BP | Descriptor: | N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2023-01-04 | Release date: | 2023-03-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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5YFP
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![BU of 5yfp by Molmil](/molmil-images/mine/5yfp) | Cryo-EM Structure of the Exocyst Complex | Descriptor: | Exocyst complex component EXO70, Exocyst complex component EXO84, Exocyst complex component SEC10, ... | Authors: | Mei, K, Li, Y, Wang, S, Shao, G, Wang, J, Ding, Y, Luo, G, Yue, P, Liu, J.J, Wang, X, Dong, M.Q, Guo, W, Wang, H.W. | Deposit date: | 2017-09-21 | Release date: | 2018-01-31 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of the exocyst complex Nat. Struct. Mol. Biol., 25, 2018
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