7FAY
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![BU of 7fay by Molmil](/molmil-images/mine/7fay) | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7FAZ
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![BU of 7faz by Molmil](/molmil-images/mine/7faz) | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | Deposit date: | 2021-07-08 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron. Nat Microbiol, 7, 2022
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7D8X
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![BU of 7d8x by Molmil](/molmil-images/mine/7d8x) | CryoEM structure of human gamma-secretase in complex with E2012 and L685458 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2020-10-11 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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7DA5
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![BU of 7da5 by Molmil](/molmil-images/mine/7da5) | Cryo-EM structure of the human MCT1 D309N mutant in complex with Basigin-2 in the inward-open conformation. | Descriptor: | Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-10-14 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7DCP
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![BU of 7dcp by Molmil](/molmil-images/mine/7dcp) | cryo-EM structure of the DEAH-box helicase Prp2 and coactivator Spp2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PRP2 isoform 1, ... | Authors: | Bai, R, Wan, R, Yan, C, Jia, Q, Zhang, P, Lei, J, Shi, Y. | Deposit date: | 2020-10-26 | Release date: | 2021-01-06 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Mechanism of spliceosome remodeling by the ATPase/helicase Prp2 and its coactivator Spp2. Science, 371, 2021
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7CKR
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![BU of 7ckr by Molmil](/molmil-images/mine/7ckr) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | Descriptor: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7C9I
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![BU of 7c9i by Molmil](/molmil-images/mine/7c9i) | Human gamma-secretase in complex with small molecule L-685,458 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y. | Deposit date: | 2020-06-05 | Release date: | 2021-01-27 | Last modified: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of gamma-secretase inhibition and modulation by small molecule drugs. Cell, 184, 2021
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3B3D
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![BU of 3b3d by Molmil](/molmil-images/mine/3b3d) | B.subtilis YtbE | Descriptor: | CALCIUM ION, Putative morphine dehydrogenase | Authors: | Zhou, Y.F, Li, L.F, Liang, Y.H, Su, X.-D. | Deposit date: | 2007-10-20 | Release date: | 2008-10-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical analyses of YvgN and YtbE from Bacillus subtilis Protein Sci., 18, 2009
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8HVP
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![BU of 8hvp by Molmil](/molmil-images/mine/8hvp) | STRUCTURE AT 2.5-ANGSTROMS RESOLUTION OF CHEMICALLY SYNTHESIZED HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 PROTEASE COMPLEXED WITH A HYDROXYETHYLENE*-BASED INHIBITOR | Descriptor: | HIV-1 PROTEASE, INHIBITOR VAL-SER-GLN-ASN-LEU-PSI(CH(OH)-CH2)-VAL-ILE-VAL (U-85548E) | Authors: | Jaskolski, M, Miller, M, Tomasselli, A.G, Sawyer, T.K, Staples, D.G, Heinrikson, R.L, Schneider, J, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1990-10-26 | Release date: | 1993-10-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure at 2.5-A resolution of chemically synthesized human immunodeficiency virus type 1 protease complexed with a hydroxyethylene-based inhibitor. Biochemistry, 30, 1991
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7HVP
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![BU of 7hvp by Molmil](/molmil-images/mine/7hvp) | X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR | Descriptor: | HIV-1 PROTEASE, INHIBITOR ACE-SER-LEU-ASN-PHE-PSI(CH(OH)-CH2N)-PRO-ILE VME (JG-365) | Authors: | Swain, A.L, Miller, M.M, Green, J, Rich, D.H, Schneider, J, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1990-09-13 | Release date: | 1993-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic structure of a complex between a synthetic protease of human immunodeficiency virus 1 and a substrate-based hydroxyethylamine inhibitor. Proc.Natl.Acad.Sci.USA, 87, 1990
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2RSP
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![BU of 2rsp by Molmil](/molmil-images/mine/2rsp) | |
3HVP
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![BU of 3hvp by Molmil](/molmil-images/mine/3hvp) | |
4HVP
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![BU of 4hvp by Molmil](/molmil-images/mine/4hvp) | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution | Descriptor: | HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide | Authors: | Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A. | Deposit date: | 1989-08-08 | Release date: | 1990-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution. Science, 246, 1989
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6S1U
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![BU of 6s1u by Molmil](/molmil-images/mine/6s1u) | Crystal structure of dimeric M-PMV protease C7A/D26N/C106A mutant in complex with inhibitor | Descriptor: | Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2019-06-19 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
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6S1W
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![BU of 6s1w by Molmil](/molmil-images/mine/6s1w) | Crystal structure of dimeric M-PMV protease D26N mutant | Descriptor: | Gag-Pro-Pol polyprotein | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2019-06-19 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
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6S1V
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![BU of 6s1v by Molmil](/molmil-images/mine/6s1v) | Crystal structure of dimeric M-PMV protease D26N mutant in complex with inhibitor | Descriptor: | Gag-Pro-Pol polyprotein, PRO-0A1-VAL-PSA-ALA-MET-THR | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2019-06-19 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Comparison of a retroviral protease in monomeric and dimeric states. Acta Crystallogr D Struct Biol, 75, 2019
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3SQF
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![BU of 3sqf by Molmil](/molmil-images/mine/3sqf) | Crystal structure of monomeric M-PMV retroviral protease | Descriptor: | Protease | Authors: | Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders | Deposit date: | 2011-07-05 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6324 Å) | Cite: | Crystal structure of a monomeric retroviral protease solved by protein folding game players. Nat.Struct.Mol.Biol., 18, 2011
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7BGU
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![BU of 7bgu by Molmil](/molmil-images/mine/7bgu) | Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | Descriptor: | Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor | Authors: | Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2021-01-08 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.433 Å) | Cite: | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. Protein Sci., 30, 2021
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7BGT
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![BU of 7bgt by Molmil](/molmil-images/mine/7bgt) | Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor | Descriptor: | ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ... | Authors: | Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I. | Deposit date: | 2021-01-08 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. Protein Sci., 30, 2021
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3EP2
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![BU of 3ep2 by Molmil](/molmil-images/mine/3ep2) | Model of Phe-tRNA(Phe) in the ribosomal pre-accommodated state revealed by cryo-EM | Descriptor: | 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ... | Authors: | Frank, J, Li, W, Agirrezabala, X. | Deposit date: | 2008-09-29 | Release date: | 2008-12-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM. Embo J., 27, 2008
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8X94
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![BU of 8x94 by Molmil](/molmil-images/mine/8x94) | Structure of human TRPV1 in complex with antagonist --protein purified without CHS | Descriptor: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,Green fluorescent protein | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-11-29 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Structural basis of TRPV1 inhibition by SAF312 and cholesterol. Nat Commun, 15, 2024
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3EQ3
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![BU of 3eq3 by Molmil](/molmil-images/mine/3eq3) | Model of tRNA(Trp)-EF-Tu in the ribosomal pre-accommodated state revealed by cryo-EM | Descriptor: | 30S ribosomal protein S12, 50S ribosomal protein L11, Elongation factor Tu, ... | Authors: | Frank, J, Li, W, Agirrezabala, X. | Deposit date: | 2008-09-30 | Release date: | 2008-12-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Recognition of aminoacyl-tRNA: a common molecular mechanism revealed by cryo-EM. Embo J., 27, 2008
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4MEZ
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![BU of 4mez by Molmil](/molmil-images/mine/4mez) | Crystal structure of M68L/M69T double mutant TEM-1 | Descriptor: | Beta-lactamase TEM, CHLORIDE ION, GLYCEROL, ... | Authors: | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | Deposit date: | 2013-08-27 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | The Structural Dynamics of Engineered beta-Lactamases Vary Broadly on Three Timescales yet Sustain Native Function. Sci Rep, 9, 2019
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3IZ4
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![BU of 3iz4 by Molmil](/molmil-images/mine/3iz4) | |
8JQR
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![BU of 8jqr by Molmil](/molmil-images/mine/8jqr) | Structure of human TRPV1 in complex with antagonist | Descriptor: | 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,PreScission Site,Green fluorescent protein | Authors: | Fan, J, Lei, X. | Deposit date: | 2023-06-14 | Release date: | 2024-08-14 | Last modified: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Structural basis of TRPV1 inhibition by SAF312 and cholesterol. Nat Commun, 15, 2024
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