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6HU7
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BU of 6hu7 by Molmil
phosphorylated F97L Hepatitis B core protein capsid
Descriptor: Capsid protein
Authors:Bottcher, B, Nassal, M.
Deposit date:2018-10-05
Release date:2018-12-26
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of Mutant Hepatitis B Core Protein Capsids with Premature Secretion Phenotype.
J. Mol. Biol., 430, 2018
4CPO
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BU of 4cpo by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-08
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPY
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BU of 4cpy by Molmil
Structure of the Neuraminidase from the B/Lyon/CHU/15.216/2011 virus in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-09
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4MBJ
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BU of 4mbj by Molmil
Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor
Descriptor: 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C.
Deposit date:2013-08-19
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 23, 2013
6B71
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BU of 6b71 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
Descriptor: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-03
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
To Be Published
4LFD
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BU of 4lfd by Molmil
Staphylococcus aureus sortase B-substrate complex
Descriptor: (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B
Authors:Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T.
Deposit date:2013-06-26
Release date:2014-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
6HTX
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BU of 6htx by Molmil
WT Hepatitis B core protein capsid
Descriptor: Capsid protein
Authors:Bottcher, B, Nassal, M.
Deposit date:2018-10-05
Release date:2018-12-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structure of Mutant Hepatitis B Core Protein Capsids with Premature Secretion Phenotype.
J. Mol. Biol., 430, 2018
6HU4
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BU of 6hu4 by Molmil
F97L Hepatitis B core protein capsid
Descriptor: Capsid protein
Authors:Bottcher, B, Nassal, M.
Deposit date:2018-10-05
Release date:2018-12-26
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structure of Mutant Hepatitis B Core Protein Capsids with Premature Secretion Phenotype.
J. Mol. Biol., 430, 2018
3HS0
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BU of 3hs0 by Molmil
Cobra Venom Factor (CVF) in complex with human factor B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ...
Authors:Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P.
Deposit date:2009-06-10
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
6M9L
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BU of 6m9l by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
Descriptor: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
Authors:Lane, W, Okada, K.
Deposit date:2018-08-23
Release date:2019-04-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
7EOY
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BU of 7eoy by Molmil
Engineered Hepatitis B virus core antigen T=3
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-24
Release date:2021-09-01
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7FDJ
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BU of 7fdj by Molmil
Engineered Hepatitis B virus core antigen with short linker T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-07-16
Release date:2021-09-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
3LV3
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BU of 3lv3 by Molmil
Crystal structure of HLA-B*2705 complexed with a peptide derived from the human voltage-dependent calcium channel alpha1 subunit (residues 513-521)
Descriptor: 9-meric peptide from Voltage-dependent L-type calcium channel subunit alpha-1D, Beta-2-microglobulin, GLYCEROL, ...
Authors:Loll, B, Rueckert, C, Saenger, W, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2010-02-19
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Loss of recognition by cross-reactive T cells and its relation to a C-terminus-induced conformational reorientation of an HLA-B*2705-bound peptide.
Protein Sci., 20, 2011
3PRF
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BU of 3prf by Molmil
Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor
Descriptor: 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J.
Deposit date:2010-11-29
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PRI
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BU of 3pri by Molmil
Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor
Descriptor: 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol, Serine/threonine-protein kinase B-raf
Authors:Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J.
Deposit date:2010-11-29
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3PSD
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BU of 3psd by Molmil
Non-oxime pyrazole based inhibitors of B-Raf kinase
Descriptor: 6-[1-(piperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl]indeno[1,2-c]pyrazole, B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE
Authors:Morales, T, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-12-01
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Non-oxime pyrazole based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 21, 2011
4MBY
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BU of 4mby by Molmil
Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Khan, Z.M, Neu, U, Stehle, T.
Deposit date:2013-08-21
Release date:2013-12-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
4MBZ
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BU of 4mbz by Molmil
Structure of B-Lymphotropic Polyomavirus VP1 in complex with 3'-sialyllactosamine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Khan, Z.M, Neu, U, Stehle, T.
Deposit date:2013-08-21
Release date:2013-12-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
3LZB
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BU of 3lzb by Molmil
EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor
Descriptor: Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
Authors:Swinger, K.K.
Deposit date:2010-03-01
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
5D7Y
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BU of 5d7y by Molmil
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
3HRZ
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BU of 3hrz by Molmil
Cobra Venom Factor (CVF) in complex with human factor B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ...
Authors:Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P.
Deposit date:2009-06-10
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
1STF
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BU of 1stf by Molmil
THE REFINED 2.4 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF RECOMBINANT HUMAN STEFIN B IN COMPLEX WITH THE CYSTEINE PROTEINASE PAPAIN: A NOVEL TYPE OF PROTEINASE INHIBITOR INTERACTION
Descriptor: PAPAIN, STEFIN B (CYSTATIN B)
Authors:Stubbs, M.T, Laber, B, Bode, W.
Deposit date:1993-04-21
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The refined 2.4 A X-ray crystal structure of recombinant human stefin B in complex with the cysteine proteinase papain: a novel type of proteinase inhibitor interaction.
EMBO J., 9, 1990
7EP6
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BU of 7ep6 by Molmil
Engineered Hepatitis B virus core antigen T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-26
Release date:2021-09-01
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
1VCJ
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BU of 1vcj by Molmil
Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one
Descriptor: 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE
Authors:Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M.
Deposit date:2004-03-09
Release date:2004-03-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase.
Acta Crystallogr.,Sect.D, 60, 2004
4O3W
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BU of 4o3w by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-63-Ala from Actinobacillus suis H57
Descriptor: GLYCEROL, SULFATE ION, Transferrin binding protein B
Authors:Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
Deposit date:2013-12-18
Release date:2015-01-14
Last modified:2015-03-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015

223790

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