6HBD
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![BU of 6hbd by Molmil](/molmil-images/mine/6hbd) | Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with Beta-D-Galactofuranose | Descriptor: | ABC transporter periplasmic-binding protein YtfQ, ZINC ION, beta-D-galactofuranose | Authors: | Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C. | Deposit date: | 2018-08-10 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol. Cell Chem Biol, 26, 2019
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6HBM
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![BU of 6hbm by Molmil](/molmil-images/mine/6hbm) | Crystal structure of MSMEG_1712 from Mycobacterium smegmatis in complex with alpha-L-arabinofuranose | Descriptor: | ABC transporter periplasmic-binding protein YtfQ, ZINC ION, alpha-L-arabinofuranose | Authors: | Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C. | Deposit date: | 2018-08-10 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Detection and Characterization of a Mycobacterial L-Arabinofuranose ABC Transporter Identified with a Rapid Lipoproteomics Protocol. Cell Chem Biol, 26, 2019
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4GHI
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![BU of 4ghi by Molmil](/molmil-images/mine/4ghi) | Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | Authors: | Scheuermann, T.H, Key, J, Tambar, U.K, Bruick, R.K, Gardner, K.H. | Deposit date: | 2012-08-07 | Release date: | 2013-02-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Allosteric inhibition of hypoxia inducible factor-2 with small molecules. Nat.Chem.Biol., 9, 2013
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4MC6
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![BU of 4mc6 by Molmil](/molmil-images/mine/4mc6) | HIV protease in complex with SA499 | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
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6JV2
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![BU of 6jv2 by Molmil](/molmil-images/mine/6jv2) | Structure of RyR2 (P/L-Ca2+/Ca2+-CaM dataset) | Descriptor: | CALCIUM ION, Calmodulin-1, RyR2, ... | Authors: | Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N. | Deposit date: | 2019-04-15 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Modulation of cardiac ryanodine receptor 2 by calmodulin. Nature, 572, 2019
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7XPZ
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![BU of 7xpz by Molmil](/molmil-images/mine/7xpz) | Structure of Apo-hSLC19A1 | Descriptor: | Reduced folate transporter | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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7XQ0
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![BU of 7xq0 by Molmil](/molmil-images/mine/7xq0) | Structure of hSLC19A1+3'3'-CDA | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Reduced folate transporter | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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7XQ2
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![BU of 7xq2 by Molmil](/molmil-images/mine/7xq2) | Structure of hSLC19A1+2'3'-cGAMP | Descriptor: | Reduced folate transporter, cGAMP | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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7XQ1
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![BU of 7xq1 by Molmil](/molmil-images/mine/7xq1) | Structure of hSLC19A1+2'3'-CDAS | Descriptor: | (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol, Reduced folate transporter | Authors: | Zhang, Q.X, Zhang, X.Y, Zhu, Y.L, Sun, P.P, Gao, A, Zhang, L.G, Gao, P. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Recognition of cyclic dinucleotides and folates by human SLC19A1. Nature, 612, 2022
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7YHK
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![BU of 7yhk by Molmil](/molmil-images/mine/7yhk) | Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5 | Descriptor: | 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zheng, Q, Li, S, Li, T, Xue, W, Sun, H. | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses. Nat Commun, 13, 2022
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7XS8
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![BU of 7xs8 by Molmil](/molmil-images/mine/7xs8) | |
7XSC
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![BU of 7xsc by Molmil](/molmil-images/mine/7xsc) | |
7XSA
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![BU of 7xsa by Molmil](/molmil-images/mine/7xsa) | |
7XSB
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![BU of 7xsb by Molmil](/molmil-images/mine/7xsb) | |
4J52
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![BU of 4j52 by Molmil](/molmil-images/mine/4j52) | Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor | Descriptor: | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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4J53
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![BU of 4j53 by Molmil](/molmil-images/mine/4j53) | Crystal structure of PLK1 in complex with TAK-960 | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | Authors: | Hosfield, D.J, Skene, R.J. | Deposit date: | 2013-02-07 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1). Bioorg.Med.Chem.Lett., 23, 2013
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8H0L
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![BU of 8h0l by Molmil](/molmil-images/mine/8h0l) | Sulfur binding domain of Hga complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*GP*AP*GP*(PST)P*TP*CP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*GP*AP*AP*CP*TP*CP*G)-3'), MAGNESIUM ION, ... | Authors: | Liu, G, He, X, Hu, W, Yang, B, Xiao, Q. | Deposit date: | 2022-09-29 | Release date: | 2023-09-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a promiscuous DNA sulfur binding domain and application in site-directed RNA base editing. Nucleic Acids Res., 51, 2023
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4OPN
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![BU of 4opn by Molmil](/molmil-images/mine/4opn) | |
8I99
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![BU of 8i99 by Molmil](/molmil-images/mine/8i99) | N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3 | Descriptor: | N-carbamoyl-D-amino-acid hydrolase | Authors: | Hu, J.M, Ni, Y, Xu, G.C. | Deposit date: | 2023-02-06 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan. J.Agric.Food Chem., 71, 2023
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8IBI
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![BU of 8ibi by Molmil](/molmil-images/mine/8ibi) | Inactive mutant of CtPL-H210S/F214I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-10 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8IBJ
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![BU of 8ibj by Molmil](/molmil-images/mine/8ibj) | Inactive mutant of CtPL-H210S/F214I/N181A/F235L | Descriptor: | PET hydrolase | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-10 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8IAN
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![BU of 8ian by Molmil](/molmil-images/mine/8ian) | Crystal structure of CtPL-H210S/F214I mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PET hydrolase | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-08 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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7DFG
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![BU of 7dfg by Molmil](/molmil-images/mine/7dfg) | Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir | Descriptor: | 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ... | Authors: | Li, Z, Zhou, Z, Yu, X. | Deposit date: | 2020-11-08 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for repurpose and design of nucleotide drugs for treating COVID-19 To Be Published
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7DFH
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![BU of 7dfh by Molmil](/molmil-images/mine/7dfh) | |
7DOK
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![BU of 7dok by Molmil](/molmil-images/mine/7dok) | |