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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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
 | | 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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7SH7
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | | Authors: | Blankenship, L.R, Yang, K.S, Liu, W.R. | | Deposit date: | 2021-10-08 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
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8G46
 | | Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2 | | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ... | | Authors: | Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S. | | Deposit date: | 2023-02-08 | | Release date: | 2023-03-08 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
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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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8STY
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8STZ
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6U2U
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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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8F22
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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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6JKV
 | | PppA, a key regulatory component of T6SS in Pseudomonas aeruginosa | | Descriptor: | MANGANESE (II) ION, PppA | | Authors: | Wang, T, Liu, L, Wu, Y, Li, D. | | Deposit date: | 2019-03-02 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of PppA from Pseudomonas aeruginosa, a key regulatory component of type VI secretion systems.
Biochem.Biophys.Res.Commun., 516, 2019
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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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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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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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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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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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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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1KO6
 | | Crystal Structure of C-terminal Autoproteolytic Domain of Nucleoporin Nup98 | | Descriptor: | Nuclear Pore Complex Protein Nup98 | | Authors: | Hodel, A.E, Hodel, M.R, Griffis, E.R, Hennig, K.A, Ratner, G.A, Songli, X, Powers, M.A. | | Deposit date: | 2001-12-20 | | Release date: | 2002-09-04 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The three-dimensional structure of the autoproteolytic, nuclear pore-targeting domain of the human nucleoporin Nup98.
Mol.Cell, 10, 2002
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7DD2
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6KNW
 | | THRb mutation with a novel agonist | | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2019-08-07 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
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7DK4
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7DDN
 | | SARS-Cov2 S protein at open state | | Descriptor: | Spike glycoprotein | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2020-10-29 | | Release date: | 2020-11-25 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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6KNV
 | | THRb mutation with a novel agonist | | Descriptor: | 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2019-08-07 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Revealing a Mutant-Induced Receptor Allosteric Mechanism for the Thyroid Hormone Resistance.
Iscience, 20, 2019
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