8I71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i71 by Molmil](/molmil-images/mine/8i71) | Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM) | Descriptor: | 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid, CHLORIDE ION, Capsid protein, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2023-01-30 | Release date: | 2023-03-22 | Last modified: | 2023-04-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection. J.Med.Chem., 66, 2023
|
|
5GMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gmz by Molmil](/molmil-images/mine/5gmz) | Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine | Descriptor: | (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2016-07-18 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors J.Med.Chem., 59, 2016
|
|
5E0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5e0i by Molmil](/molmil-images/mine/5e0i) | |
7UMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7umi by Molmil](/molmil-images/mine/7umi) | Importin a1 bound to Cp183-CTD | Descriptor: | HBV-NLS, Importin subunit alpha-1 | Authors: | Yang, R, Cingolani, G. | Deposit date: | 2022-04-07 | Release date: | 2023-10-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core. Sci Adv, 10, 2024
|
|
8KHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8khu by Molmil](/molmil-images/mine/8khu) | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | Authors: | Zhou, Z, Xu, Z.H. | Deposit date: | 2023-08-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus. J.Med.Chem., 66, 2023
|
|
3KXS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kxs by Molmil](/molmil-images/mine/3kxs) | |
6J10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j10 by Molmil](/molmil-images/mine/6j10) | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly | Descriptor: | 6-cyclohexyl-4-methyl-1-oxidanyl-pyridin-2-one, Capsid protein | Authors: | Park, S, Jin, M.S, Cho, Y, Kang, J, Kim, S, Park, M, Park, H, Kim, J, Park, S, Hwang, J, Kim, Y, Kim, Y.J. | Deposit date: | 2018-12-27 | Release date: | 2019-04-17 | Last modified: | 2019-05-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ciclopirox inhibits Hepatitis B Virus secretion by blocking capsid assembly. Nat Commun, 10, 2019
|
|
8GBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gbu by Molmil](/molmil-images/mine/8gbu) | Hepatitis B capsid Y132A mutant with compound AB-506 | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl}carbamate, 1,2-ETHANEDIOL, Capsid protein | Authors: | Horanyi, P.S, Mayclin, S.J. | Deposit date: | 2023-02-28 | Release date: | 2023-09-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis, and structure-activity relationship of a bicyclic HBV capsid assembly modulator chemotype leading to the identification of clinical candidate AB-506. Bioorg.Med.Chem.Lett., 94, 2023
|
|
7S76
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s76 by Molmil](/molmil-images/mine/7s76) | HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION | Descriptor: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate, Capsid protein | Authors: | Olland, A.M, Suto, R.K. | Deposit date: | 2021-09-15 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The identification of highly efficacious functionalised tetrahydrocyclopenta[ c ]pyrroles as inhibitors of HBV viral replication through modulation of HBV capsid assembly. Rsc Med Chem, 13, 2022
|
|
5WTW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wtw by Molmil](/molmil-images/mine/5wtw) | |
7K5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7k5m by Molmil](/molmil-images/mine/7k5m) | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | Descriptor: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | Authors: | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | Deposit date: | 2020-09-17 | Release date: | 2021-07-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification of a new class of HBV capsid assembly modulator. Bioorg.Med.Chem.Lett., 39, 2021
|
|
4BMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bmg by Molmil](/molmil-images/mine/4bmg) | Crystal structure of hexameric HBc149 Y132A | Descriptor: | CAPSID PROTEIN | Authors: | Juergens, M.C, Alexander, C.G, Shepherd, D.A, Ashcroft, A.E, Ferguson, N. | Deposit date: | 2013-05-08 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Thermodynamic Origins of Protein Folding, Allostery and Capsid Formation in the Human Hepatitis B Virus Core Protein Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6CWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cwt by Molmil](/molmil-images/mine/6cwt) | |
6CWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cwd by Molmil](/molmil-images/mine/6cwd) | |
6VZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vzp by Molmil](/molmil-images/mine/6vzp) | HBV wild type capsid | Descriptor: | Capsid protein | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | Deposit date: | 2020-02-28 | Release date: | 2020-09-30 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly. Acs Chem.Biol., 15, 2020
|
|
5D7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d7y by Molmil](/molmil-images/mine/5d7y) | Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18 | Descriptor: | Capsid protein, methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate | Authors: | Venkatakrishnan, B, Katen, S.P, Zlotnick, A. | Deposit date: | 2015-08-14 | Release date: | 2016-02-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.894 Å) | Cite: | Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket. J.Virol., 90, 2016
|
|
2G33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g33 by Molmil](/molmil-images/mine/2g33) | |
6BVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bvf by Molmil](/molmil-images/mine/6bvf) | |
6BVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bvn by Molmil](/molmil-images/mine/6bvn) | |
4G93
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g93 by Molmil](/molmil-images/mine/4g93) | |
6WFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wfs by Molmil](/molmil-images/mine/6wfs) | Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the antiviral molecule DBT1 | Descriptor: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide, Capsid protein | Authors: | Schlicksup, C, Laughlin, P, Dunkelbarger, S, Wang, J.C, Zlotnick, A. | Deposit date: | 2020-04-03 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Local Stabilization of Subunit-Subunit Contacts Causes Global Destabilization of Hepatitis B Virus Capsids. Acs Chem.Biol., 15, 2020
|
|
6W0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6w0k by Molmil](/molmil-images/mine/6w0k) | HBV D78S mutant capsid | Descriptor: | Capsid protein | Authors: | Zhao, Z, Wang, J, Zlotnick, A. | Deposit date: | 2020-03-01 | Release date: | 2020-09-30 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | The Integrity of the Intradimer Interface of the Hepatitis B Virus Capsid Protein Dimer Regulates Capsid Self-Assembly. Acs Chem.Biol., 15, 2020
|
|
2G34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g34 by Molmil](/molmil-images/mine/2g34) | |
2QIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qij by Molmil](/molmil-images/mine/2qij) | Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data. | Descriptor: | Core antigen | Authors: | Tan, W.S, McNae, I.W, Ho, K.L, Walkinshaw, M.D. | Deposit date: | 2007-07-04 | Release date: | 2007-12-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (8.9 Å) | Cite: | Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension. Acta Crystallogr.,Sect.F, 63, 2007
|
|