8GQ1
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![BU of 8gq1 by Molmil](/molmil-images/mine/8gq1) | HyHEL10 Fab complexed with hen egg lysozyme carrying arginine cluster in framework region of light chain. | Descriptor: | Heavy Chain of HyHel10 Antibody Fragment (Fab), Light Chain of HyHel10 Antibody Fragment (Fab), Lysozyme C, ... | Authors: | Matsuura, H, Hirata, K, Sakai, N, Nakakido, M, Tsumoto, K. | Deposit date: | 2022-08-28 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Arginine cluster introduction on framework region in anti-lysozyme antibody improved association rate constant by changing conformational diversity of CDR loops. Protein Sci., 32, 2023
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5NA8
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2RDX
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![BU of 2rdx by Molmil](/molmil-images/mine/2rdx) | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM | Descriptor: | GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ... | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Ozyurt, S, Gilmore, M, Lau, C, Maletic, M, Gheyi, T, Wasserman, S.R, Koss, J, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2007-09-25 | Release date: | 2007-10-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM. To be Published
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3LSV
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7BBC
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![BU of 7bbc by Molmil](/molmil-images/mine/7bbc) | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | Deposit date: | 2020-12-17 | Release date: | 2021-03-24 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions. Structure, 29, 2021
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8DZB
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![BU of 8dzb by Molmil](/molmil-images/mine/8dzb) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 11 | Descriptor: | 3C-like proteinase nsp5, GLYCEROL, benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2022-08-06 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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3LTW
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![BU of 3ltw by Molmil](/molmil-images/mine/3ltw) | The structure of mycobacterium marinum arylamine n-acetyltransferase in complex with hydralazine | Descriptor: | 1-hydrazinophthalazine, Arylamine N-acetyltransferase Nat, FORMIC ACID | Authors: | Abuhammad, A.M, Lowe, E.D, Fullam, E, Noble, M, Garman, E.F, Sim, E. | Deposit date: | 2010-02-16 | Release date: | 2010-07-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing the architecture of the Mycobacterium marinum arylamine N-acetyltransferase active site Protein Cell, 1, 2010
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6YLZ
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![BU of 6ylz by Molmil](/molmil-images/mine/6ylz) | X-ray structure of the K72I,Y129F,R133L, H199A quadruple mutant of PNP-oxidase from E. coli | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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8DZC
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![BU of 8dzc by Molmil](/molmil-images/mine/8dzc) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor 17 | Descriptor: | (3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate, 3C-like proteinase nsp5, GLYCEROL | Authors: | Sacco, M, Chen, Y. | Deposit date: | 2022-08-06 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of the Safe and Broad-Spectrum Aldehyde and Ketoamide Mpro inhibitors Derived from the Constrained alpha , gamma-AA Peptide Scaffold. Chemistry, 29, 2023
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7F5S
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![BU of 7f5s by Molmil](/molmil-images/mine/7f5s) | human delta-METTL18 60S ribosome | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Takahashi, M, Kashiwagi, K, Ito, T. | Deposit date: | 2021-06-22 | Release date: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | METTL18-mediated histidine methylation of RPL3 modulates translation elongation for proteostasis maintenance. Elife, 11, 2022
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8GRT
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![BU of 8grt by Molmil](/molmil-images/mine/8grt) | Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7 | Descriptor: | 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE | Authors: | Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y. | Deposit date: | 2022-09-02 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia To Be Published
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2RU7
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![BU of 2ru7 by Molmil](/molmil-images/mine/2ru7) | Refined structure of RNA aptamer in complex with the partial binding peptide of prion protein | Descriptor: | P16 peptide from Major prion protein, RNA_(5'-R(*GP*GP*AP*GP*GP*AP*GP*GP*AP*GP*GP*A)-3') | Authors: | Hayashi, T, Oshima, H, Mashima, T, Nagata, T, Katahira, M, Kinoshita, M. | Deposit date: | 2013-12-24 | Release date: | 2014-05-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Binding of an RNA aptamer and a partial peptide of a prion protein: crucial importance of water entropy in molecular recognition. Nucleic Acids Res., 42, 2014
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8GVD
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![BU of 8gvd by Molmil](/molmil-images/mine/8gvd) | SARS-CoV-2 Mpro in complex with D-4-38 | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5 | Authors: | Liu, M, Huang, H. | Deposit date: | 2022-09-14 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SARS-CoV-2 Mpro in complex with D-4-38 To Be Published
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7B9F
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![BU of 7b9f by Molmil](/molmil-images/mine/7b9f) | Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | Descriptor: | EccB5, EccC5, EccD5, ... | Authors: | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | Deposit date: | 2020-12-14 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the mycobacterial ESX-5 type VII secretion system pore complex. Sci Adv, 7, 2021
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8GX3
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![BU of 8gx3 by Molmil](/molmil-images/mine/8gx3) | The crystal structure of human Calpain-1 protease core in complex with 14c | Descriptor: | CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | Deposit date: | 2022-09-18 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | The crystal structure of human Calpain-1 protease core in complex with 14c To Be Published
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6G8D
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6YMH
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![BU of 6ymh by Molmil](/molmil-images/mine/6ymh) | X-ray structure of the K72I, Y129F, R133L, H199A quadruple mutant of PNP-oxidase from E. coli in complex with PLP | Descriptor: | FLAVIN MONONUCLEOTIDE, PYRIDOXAL-5'-PHOSPHATE, Pyridoxine/pyridoxamine 5'-phosphate oxidase, ... | Authors: | Battista, T, Sularea, M, Barile, A, Fiorillo, A, Tramonti, A, Ilari, A. | Deposit date: | 2020-04-08 | Release date: | 2021-04-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.417 Å) | Cite: | Identification and characterization of the pyridoxal 5'-phosphate allosteric site in Escherichia coli pyridoxine 5'-phosphate oxidase. J.Biol.Chem., 296, 2021
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6TCK
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![BU of 6tck by Molmil](/molmil-images/mine/6tck) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... | Authors: | Welin, M, Kimbung, R, Focht, D. | Deposit date: | 2019-11-06 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Rational design of balanced dual-targeting antibiotics with limited resistance. Plos Biol., 18, 2020
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2RKG
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![BU of 2rkg by Molmil](/molmil-images/mine/2rkg) | HIV-1 PR resistant mutant + LPV | Descriptor: | GLYCEROL, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, PROTEASE RETROPEPSIN | Authors: | Rezacova, P, Brynda, J, Kozisek, M, Saskova, K, Konvalinka, J. | Deposit date: | 2007-10-16 | Release date: | 2008-08-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ninety-nine is not enough: molecular characterization of inhibitor-resistant human immunodeficiency virus type 1 protease mutants with insertions in the flap region J.Virol., 82, 2008
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6G0J
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![BU of 6g0j by Molmil](/molmil-images/mine/6g0j) | Inactive Fe-PP1 | Descriptor: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Salvi, F, Barabas, O, Koehn, M. | Deposit date: | 2018-03-18 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Effects of stably incorporated iron on protein phosphatase-1 structure and activity. FEBS Lett., 592, 2018
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6G9G
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8GKN
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![BU of 8gkn by Molmil](/molmil-images/mine/8gkn) | Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with S-naringenin | Descriptor: | NARINGENIN, UDP-glycosyltransferase 202A2, URIDINE-5'-DIPHOSPHATE | Authors: | Arriaza, R.H, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M. | Deposit date: | 2023-03-20 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of TuUGT202A2 (Tetur22g00270) in complex with S-naringenin To Be Published
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7B9S
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![BU of 7b9s by Molmil](/molmil-images/mine/7b9s) | Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | Descriptor: | EccB5, EccC5, EccD5, ... | Authors: | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | Deposit date: | 2020-12-14 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of the mycobacterial ESX-5 type VII secretion system pore complex. Sci Adv, 7, 2021
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8GVY
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![BU of 8gvy by Molmil](/molmil-images/mine/8gvy) | SARS CoV-2 Mpro in complex with D-3-149 | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5 | Authors: | Liu, M, Huang, H. | Deposit date: | 2022-09-16 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SARS CoV-2 Mpro in complex with D-3-149 To Be Published
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3LVM
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![BU of 3lvm by Molmil](/molmil-images/mine/3lvm) | Crystal Structure of E.coli IscS | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Shi, R, Proteau, A, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2010-02-22 | Release date: | 2010-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for Fe-S cluster assembly and tRNA thiolation mediated by IscS protein-protein interactions. Plos Biol., 8, 2010
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