7TB4
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![BU of 7tb4 by Molmil](/molmil-images/mine/7tb4) | Cryo-EM structure of the spike of SARS-CoV-2 Omicron variant of concern | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Surface glycoprotein | Authors: | Zhou, T, Tsybovsky, T, Kwong, P.D. | Deposit date: | 2021-12-21 | Release date: | 2022-01-12 | Last modified: | 2022-01-19 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | Antibodies with potent and broad neutralizing activity against antigenically diverse and highly transmissible SARS-CoV-2 variants. Biorxiv, 2021
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8HBT
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![BU of 8hbt by Molmil](/molmil-images/mine/8hbt) | AmAT7-3 mutant A310G | Descriptor: | AmAT7-3-A310G, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-31 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8H8I
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![BU of 8h8i by Molmil](/molmil-images/mine/8h8i) | Triterpenoid saponin acetyltransferase, AmAT7-3 | Descriptor: | AmAT7-3, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-22 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8GQE
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![BU of 8gqe by Molmil](/molmil-images/mine/8gqe) | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | Deposit date: | 2022-08-30 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces. Plant Commun., 4, 2023
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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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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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4C13
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![BU of 4c13 by Molmil](/molmil-images/mine/4c13) | x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Ruane, K.M, Roper, D.I, Fulop, V, Barreteau, H, Boniface, A, Dementin, S, Blanot, D, Mengin-Lecreulx, D, Gobec, S, Dessen, A, Dowson, C.G, Lloyd, A.J. | Deposit date: | 2013-08-09 | Release date: | 2013-10-02 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a first-in-class CDK2 selective degrader for AML differentiation therapy. Nat.Chem.Biol., 2021
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6VWC
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![BU of 6vwc by Molmil](/molmil-images/mine/6vwc) | Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors | Descriptor: | 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1 | Authors: | Judge, R.A, Judd, A.S. | Deposit date: | 2020-02-19 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Acs Med.Chem.Lett., 11, 2020
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8SBD
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![BU of 8sbd by Molmil](/molmil-images/mine/8sbd) | Cryo-EM structure of insulin amyloid-like fibril that is composed of two antiparallel protofilaments | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Wang, L.W, Hall, C, Uchikawa, E, Chen, D.L, Choi, E, Zhang, X.W, Bai, X.C. | Deposit date: | 2023-04-03 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural basis of insulin fibrillation. Sci Adv, 9, 2023
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1BM5
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![BU of 1bm5 by Molmil](/molmil-images/mine/1bm5) | |
5UEY
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![BU of 5uey by Molmil](/molmil-images/mine/5uey) | BRD4_BD2_A-1412838 | Descriptor: | 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEX
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![BU of 5uex by Molmil](/molmil-images/mine/5uex) | BRD4_BD2_A-1497627 | Descriptor: | 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEU
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![BU of 5ueu by Molmil](/molmil-images/mine/5ueu) | BRD4_BD2_A-1107604 | Descriptor: | Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UF0
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![BU of 5uf0 by Molmil](/molmil-images/mine/5uf0) | BRD4_BD2-A-35165 | Descriptor: | 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-06-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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5UEZ
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![BU of 5uez by Molmil](/molmil-images/mine/5uez) | BRD4_BD2_A-1342843 | Descriptor: | 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4 | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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6C6Z
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![BU of 6c6z by Molmil](/molmil-images/mine/6c6z) | |
5UEW
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![BU of 5uew by Molmil](/molmil-images/mine/5uew) | BRD2 Bromodomain2 with A-1360579 | Descriptor: | Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide | Authors: | Park, C.H. | Deposit date: | 2017-01-03 | Release date: | 2017-05-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors. J. Med. Chem., 60, 2017
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6C6Y
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![BU of 6c6y by Molmil](/molmil-images/mine/6c6y) | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2018-01-19 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape. J. Virol., 92, 2018
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6C6X
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![BU of 6c6x by Molmil](/molmil-images/mine/6c6x) | Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque. | Descriptor: | JC57-14 Heavy chain, JC57-14 Light chain | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2018-01-19 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape. J. Virol., 92, 2018
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4ZPV
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![BU of 4zpv by Molmil](/molmil-images/mine/4zpv) | Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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4ZPW
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![BU of 4zpw by Molmil](/molmil-images/mine/4zpw) | Structure of unbound MERS-CoV spike receptor-binding domain (England1 strain). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Spike glycoprotein | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-08-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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5U1B
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![BU of 5u1b by Molmil](/molmil-images/mine/5u1b) | Ferritin with Gc MtrE loop2 inserted at the N-terminus | Descriptor: | MtrE protein,Ferritin chimera | Authors: | Wang, S. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae. FEBS Open Bio, 7, 2017
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5U1A
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![BU of 5u1a by Molmil](/molmil-images/mine/5u1a) | Ferritin with Gc MtrE loop 1 inserted at His34 | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin,MtrE protein chimera, ... | Authors: | Wang, S. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae. FEBS Open Bio, 7, 2017
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7TYJ
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![BU of 7tyj by Molmil](/molmil-images/mine/7tyj) | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied | Descriptor: | Insulin receptor-related protein | Authors: | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor. Nat.Struct.Mol.Biol., 30, 2023
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7TYK
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![BU of 7tyk by Molmil](/molmil-images/mine/7tyk) | Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry | Descriptor: | Insulin receptor-related protein | Authors: | Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C. | Deposit date: | 2022-02-13 | Release date: | 2023-02-15 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor. Nat.Struct.Mol.Biol., 30, 2023
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