7R80
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![BU of 7r80 by Molmil](/molmil-images/mine/7r80) | Crystal structure of C3 TCR complex with QW9-bound HLA-B*5301 | Descriptor: | Alpha chain of C3 TCR, Beta Chain of C3 TCR, Beta-2-microglobulin, ... | Authors: | Li, X.L, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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7SDA
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![BU of 7sda by Molmil](/molmil-images/mine/7sda) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI49 | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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7SD9
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![BU of 7sd9 by Molmil](/molmil-images/mine/7sd9) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI48 | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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7SDC
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![BU of 7sdc by Molmil](/molmil-images/mine/7sdc) | Structure of the SARS-CoV-2 main protease in complex with inhibitor MI-09 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Yang, K.S, Liu, W.R. | Deposit date: | 2021-09-29 | Release date: | 2022-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease. J.Med.Chem., 66, 2023
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6GHC
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![BU of 6ghc by Molmil](/molmil-images/mine/6ghc) | Modification dependent EcoKMcrA restriction endonuclease | Descriptor: | 5-methylcytosine-specific restriction enzyme A, ZINC ION | Authors: | Czapinska, H, Kowalska, M, Zagorskaite, E, Manakova, E, Xu, S, Siksnys, V, Sasnauskas, G, Bochtler, M. | Deposit date: | 2018-05-07 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Activity and structure of EcoKMcrA. Nucleic Acids Res., 46, 2018
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6GHS
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![BU of 6ghs by Molmil](/molmil-images/mine/6ghs) | Modification dependent TagI restriction endonuclease | Descriptor: | SODIUM ION, TagI restriction endonuclease, ZINC ION | Authors: | Kisiala, M, Copelas, A, Czapinska, H, Xu, S, Bochtler, M. | Deposit date: | 2018-05-08 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Crystal structure of the modification-dependent SRA-HNH endonuclease TagI. Nucleic Acids Res., 46, 2018
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3LHJ
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![BU of 3lhj by Molmil](/molmil-images/mine/3lhj) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor. | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2010-01-22 | Release date: | 2010-04-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase. J.Med.Chem., 53, 2010
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3C43
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![BU of 3c43 by Molmil](/molmil-images/mine/3c43) | Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor | Descriptor: | (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Edmondson, S.D, Weber, A.E. | Deposit date: | 2008-01-29 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3C45
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![BU of 3c45 by Molmil](/molmil-images/mine/3c45) | Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor | Descriptor: | (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scapin, G, Edmondson, S.D, Weber, A.E. | Deposit date: | 2008-01-29 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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8STY
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![BU of 8sty by Molmil](/molmil-images/mine/8sty) | |
8STZ
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![BU of 8stz by Molmil](/molmil-images/mine/8stz) | |
3RZ3
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![BU of 3rz3 by Molmil](/molmil-images/mine/3rz3) | Human Cdc34 E2 in complex with CC0651 inhibitor | Descriptor: | 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, Webb, D.R, Sicheri, F. | Deposit date: | 2011-05-11 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An allosteric inhibitor of the human cdc34 ubiquitin conjugating enzyme Cell(Cambridge,Mass.), 145, 2011
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8XXW
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![BU of 8xxw by Molmil](/molmil-images/mine/8xxw) | Fab M2-7 complexed with SARS-Cov2 RBD and human ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, M2-7-Heavy chain, M2-7-Light chain, ... | Authors: | Liu, C, Xie, Y. | Deposit date: | 2024-01-19 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | Mosaic RBD nanoparticle elicits immunodominant antibody responses across sarbecoviruses. Cell Rep, 43, 2024
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3GFE
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![BU of 3gfe by Molmil](/molmil-images/mine/3gfe) | Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Pyrazolopyridinone Inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2009-02-26 | Release date: | 2009-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase. Bioorg.Med.Chem.Lett., 19, 2009
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4ZXA
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![BU of 4zxa by Molmil](/molmil-images/mine/4zxa) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Cd2+ and 4-hydroxybenzonitrile | Descriptor: | 4-hydroxybenzonitrile, CADMIUM ION, Hydroquinone dioxygenase large subunit, ... | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.488 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXD
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![BU of 4zxd by Molmil](/molmil-images/mine/4zxd) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD | Descriptor: | Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.052 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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4ZXC
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![BU of 4zxc by Molmil](/molmil-images/mine/4zxc) | Crystal Structure of hydroquinone 1,2-dioxygenase PnpCD in complex with Fe3+ | Descriptor: | FE (III) ION, Hydroquinone dioxygenase large subunit, Hydroquinone dioxygenase small subunit | Authors: | Liu, S, Su, T, Zhang, C, Gu, L. | Deposit date: | 2015-05-20 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal Structure of PnpCD, a Two-subunit Hydroquinone 1,2-Dioxygenase, Reveals a Novel Structural Class of Fe2+-dependent Dioxygenases. J.Biol.Chem., 290, 2015
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5GT2
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![BU of 5gt2 by Molmil](/molmil-images/mine/5gt2) | Crystal Structure and Biochemical Features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Probable deferrochelatase/peroxidase YfeX | Authors: | Ma, Y.L, Yuan, Z.G, Liu, S, Wang, J.X, Gu, L.C, Liu, X.H. | Deposit date: | 2016-08-18 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp(143) and Arg(232) play divergent roles toward different substrates Biochem. Biophys. Res. Commun., 484, 2017
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5HXB
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![BU of 5hxb by Molmil](/molmil-images/mine/5hxb) | Cereblon in complex with DDB1, CC-885, and GSPT1 | Descriptor: | 1-(3-chloro-4-methylphenyl)-3-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)urea, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | Authors: | Chamberlain, P.P, Matyskiela, M, Pagarigan, B. | Deposit date: | 2016-01-30 | Release date: | 2016-06-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A novel cereblon modulator recruits GSPT1 to the CRL4(CRBN) ubiquitin ligase. Nature, 535, 2016
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3BM3
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![BU of 3bm3 by Molmil](/molmil-images/mine/3bm3) | Restriction endonuclease PspGI-substrate DNA complex | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*AP*TP*CP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*CP*CP*TP*GP*GP*AP*T)-3'), ... | Authors: | Szczepanowski, R.H, Carpenter, M, Czapinska, H, Tamulaitis, G, Siksnys, V, Bhagwat, A, Bochtler, M. | Deposit date: | 2007-12-12 | Release date: | 2008-09-16 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A direct crystallographic demonstration that Type II restriction endonuclease PspGI flips nucleotides To be Published
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6IFE
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![BU of 6ife by Molmil](/molmil-images/mine/6ife) | A Glycoside Hydrolase Family 43 beta-Xylosidase | Descriptor: | Beta-xylosidase, GLYCEROL | Authors: | Li, N, Liu, Y, Zhang, R, Zhou, J.P, Huang, Z.X. | Deposit date: | 2018-09-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Biochemical and structural properties of a low-temperature-active glycoside hydrolase family 43 beta-xylosidase: Activity and instability at high neutral salt concentrations. Food Chem, 301, 2019
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4QNC
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![BU of 4qnc by Molmil](/molmil-images/mine/4qnc) | Crystal structure of a SemiSWEET in an occluded state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, chemical transport protein | Authors: | Yan, X, Yuyong, T, Liang, F, Perry, K. | Deposit date: | 2014-06-17 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Structures of bacterial homologues of SWEET transporters in two distinct conformations. Nature, 515, 2014
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3DS6
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![BU of 3ds6 by Molmil](/molmil-images/mine/3ds6) | P38 complex with a phthalazine inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | Authors: | Herberich, B, Syed, R, Li, V, Grosfeld, D. | Deposit date: | 2008-07-11 | Release date: | 2008-10-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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4QND
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![BU of 4qnd by Molmil](/molmil-images/mine/4qnd) | Crystal structure of a SemiSWEET | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Chemical transport protein, ... | Authors: | Yan, X, Yuyong, T, Liang, F, Perry, K. | Deposit date: | 2014-06-17 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Structures of bacterial homologues of SWEET transporters in two distinct conformations. Nature, 515, 2014
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3DT1
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![BU of 3dt1 by Molmil](/molmil-images/mine/3dt1) | P38 Complexed with a quinazoline inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | Deposit date: | 2008-07-14 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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