7CUU
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with MG132 | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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7CUT
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with Z-VAD-FMK | Descriptor: | 3C protein, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lu, M, Yang, H.T, Wang, Z.Y, Zhao, Y, Xing, Y.F. | Deposit date: | 2020-08-24 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Identification of proteasome and caspase inhibitors targeting SARS-CoV-2 M pro . Signal Transduct Target Ther, 6, 2021
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4MC2
| HIV protease in complex with SA525P | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, 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 (1.56 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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4LWE
| Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4MC1
| HIV protease in complex with SA526P | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | 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 (1.39 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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7DNC
| Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7DC6
| Giant panda MHC class I complexes | Descriptor: | Beta-2-microglobulin, CCV-NGY9 peptide from Spike protein, MHC class I antigen | Authors: | Yuan, H, Xia, C. | Deposit date: | 2020-10-23 | Release date: | 2021-06-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure of the giant panda MHC class I complex: First insights into the viral peptide presentation profile in the bear family. Protein Sci., 29, 2020
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3FIV
| CRYSTAL STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH A SUBSTRATE | Descriptor: | ACE-ALN-VAL-LEU-ALA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION | Authors: | Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A. | Deposit date: | 1997-07-09 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor. Biochemistry, 36, 1997
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7WGX
| SARS-CoV-2 spike glycoprotein trimer in closed state after treatment with Cathepsin L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ... | Authors: | Zhu, Y, Tai, L, Yin, G, Sun, F. | Deposit date: | 2021-12-29 | Release date: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies Cell Discov, 8, 2022
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7WGZ
| SARS-CoV-2 spike glycoprotein trimer in open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, Y, Tai, L, Yin, G, Sun, F. | Deposit date: | 2021-12-29 | Release date: | 2023-01-04 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies Cell Discov, 8, 2022
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7WGY
| SARS-CoV-2 spike glycoprotein trimer in Intermediate state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Zhu, Y, Tai, L, Yin, G, Sun, F. | Deposit date: | 2021-12-29 | Release date: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies Cell Discov, 8, 2022
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7WGV
| SARS-CoV-2 spike glycoprotein trimer in closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, ... | Authors: | Zhu, Y, Tai, L, Yin, G, Sun, F. | Deposit date: | 2021-12-29 | Release date: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Novel cleavage sites identified in SARS-CoV-2 spike protein reveal mechanism for cathepsin L-facilitated viral infection and treatment strategies Cell Discov, 8, 2022
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7D64
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6HB0
| Crystal structure of MSMEG_1712 from Mycobacterium smegmatis | Descriptor: | ABC transporter periplasmic-binding protein YtfQ, ZINC ION | Authors: | Li, M, Mueller, C, Einsle, O, Jessen-Trefzer, C. | Deposit date: | 2018-08-09 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 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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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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7Y4H
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7DOK
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7DOI
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7YFK
| The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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4M5B
| Crystal Structure of an Truncated Transition Metal Transporter | Descriptor: | Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL, NICKEL (II) ION | Authors: | Yu, Y. | Deposit date: | 2013-08-08 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.833 Å) | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters Cell Res., 24, 2014
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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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4LWI
| Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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4LWF
| Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3 | Descriptor: | 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | Authors: | Li, J, Shi, F, Xiong, B, He, J. | Deposit date: | 2013-07-27 | Release date: | 2014-07-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. Eur.J.Med.Chem., 87, 2014
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7EKM
| Mitochondrial outer membrane protein | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial | Authors: | Zhang, S.S. | Deposit date: | 2021-04-05 | Release date: | 2021-08-25 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular insights into the human ABCB6 transporter. Cell Discov, 7, 2021
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