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2G94
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BU of 2g94 by Molmil
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
Descriptor: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
Authors:Hong, L, Ghosh, A, Tang, J.
Deposit date:2006-03-05
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
1FB7
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BU of 1fb7 by Molmil
CRYSTAL STRUCTURE OF AN IN VIVO HIV-1 PROTEASE MUTANT IN COMPLEX WITH SAQUINAVIR: INSIGHTS INTO THE MECHANISMS OF DRUG RESISTANCE
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, HIV-1 PROTEASE
Authors:Hong, L, Zhang, X.C, Hartsuck, J.A, Tang, J.
Deposit date:2000-07-14
Release date:2000-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an in vivo HIV-1 protease mutant in complex with saquinavir: insights into the mechanisms of drug resistance.
Protein Sci., 9, 2000
1FKN
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BU of 1fkn by Molmil
Structure of Beta-Secretase Complexed with Inhibitor
Descriptor: MEMAPSIN 2, inhibitor
Authors:Hong, L, Koelsch, G, Lin, X, Wu, S, Terzyan, S, Ghosh, A, Zhang, X.C, Tang, J.
Deposit date:2000-08-09
Release date:2000-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the protease domain of memapsin 2 (beta-secretase) complexed with inhibitor.
Science, 290, 2000
4NC1
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BU of 4nc1 by Molmil
Crystal Structure of TcdA-A2 Bound to A20.1 VHH and A26.8 VHH
Descriptor: A20.1 VHH, A26.8 VHH, Cell wall-binding repeat protein
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4NBY
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BU of 4nby by Molmil
Crystal Structure of TcdA-A2 Bound to Two Molecules of A20.1 VHH
Descriptor: A20.1 VHH, Cell wall-binding repeat protein
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4NC0
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BU of 4nc0 by Molmil
Crystal Structure of TcdA-A2 Bound to A26.8 VHH
Descriptor: A26.8 VHH, Cell wall-binding repeat protein
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4NBX
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BU of 4nbx by Molmil
Crystal Structure of Clostridium difficile Toxin A fragment TcdA-A1 Bound to A20.1 VHH
Descriptor: A20.1 VHH, TcdA
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4NBZ
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BU of 4nbz by Molmil
Crystal Structure of TcdA-A1 Bound to A26.8 VHH
Descriptor: A26.8 VHH, TcdA
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
7AOY
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BU of 7aoy by Molmil
Helical arrangement of Bunyamwera virus nucleocapsid protein within a native ribonucleoprotein
Descriptor: Nucleoprotein
Authors:Hopkins, F.R, Fontana, J, Barr, J.N.
Deposit date:2020-10-15
Release date:2022-05-04
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (13 Å)
Cite:The Native Orthobunyavirus Ribonucleoprotein Possesses a Helical Architecture.
Mbio, 13, 2022
4NC2
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BU of 4nc2 by Molmil
Crystal structure of TcdB-B1 bound to B39 VHH
Descriptor: B39 VHH, Toxin B
Authors:Murase, T, Eugenio, L, Schorr, M, Hussack, G, Tanha, J, Kitova, E.N, Klassen, J.S, Ng, K.K.S.
Deposit date:2013-10-23
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Antibody Recognition in the Receptor-binding Domains of Toxins A and B from Clostridium difficile.
J.Biol.Chem., 289, 2014
4Q58
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BU of 4q58 by Molmil
Crystal structure of the plectin 1a actin-binding domain/integrin beta 4 fragment complex
Descriptor: Integrin beta-4, Plectin
Authors:Song, J.-G, Kostan, J, Grishkovskaya, I, Djinovic-Carugo, K.
Deposit date:2014-04-16
Release date:2014-07-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4.001 Å)
Cite:Crystal structure of the plectin 1a actin-binding domain/integrin beta 4 fragment complex
To be Published
4Q59
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BU of 4q59 by Molmil
Crystal structure of plectin 1a actin-binding domain
Descriptor: Plectin
Authors:Song, J.-G, Kostan, J, Grishkovskaya, I, Djinovic-Carugo, K.
Deposit date:2014-04-16
Release date:2014-07-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of plectin 1a actin-binding domain
To be Published
5J7I
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BU of 5j7i by Molmil
Crystal structure of a Geobacillus thermoglucosidasius Acetylating Aldehyde Dehydrogenase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, Acetaldehyde dehydrogenase (Acetylating)
Authors:Crennell, S.J, Extance, J.P, Danson, M.J.
Deposit date:2016-04-06
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
Descriptor: 3C-like proteinase nsp5
Authors:Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
Deposit date:2005-07-22
Release date:2005-09-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
7K75
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BU of 7k75 by Molmil
Crystal structure of MAD2-6 IgA Fab in complex with PfCSP N-terminal peptide.
Descriptor: Heavy chain of MAD2-6 IgA Fab, Light chain of MAD2-6 IgA Fab, PfCSP N-terminal peptide P17
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2020-09-22
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional human IgA targets a conserved site on malaria sporozoites.
Sci Transl Med, 13, 2021
7K76
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BU of 7k76 by Molmil
Crystal structure of MAD2-6 IgG Fab in complex with PfCSP N-terminal peptide.
Descriptor: Heavy chain of MAD2-6 IgG Fab, Light chain of MAD2-6 IgG Fab, PfCSP N-terminal peptide P17
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2020-09-22
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Functional human IgA targets a conserved site on malaria sporozoites.
Sci Transl Med, 13, 2021
7CG7
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BU of 7cg7 by Molmil
Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGO
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BU of 7cgo by Molmil
Cryo-EM structure of the flagellar motor-hook complex from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG4
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BU of 7cg4 by Molmil
Cryo-EM structure of the flagellar export apparatus with FliE from Salmonella
Descriptor: Flagellar biosynthetic protein FliP, Flagellar hook-basal body complex protein FliE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBL
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BU of 7cbl by Molmil
Cryo-EM structure of the flagellar LP ring from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBM
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BU of 7cbm by Molmil
Cryo-EM structure of the flagellar distal rod with partial hook from Salmonella
Descriptor: Flagellar basal-body rod protein FlgF, Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGB
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BU of 7cgb by Molmil
Cryo-EM structure of the flagellar hook from Salmonella
Descriptor: Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG0
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BU of 7cg0 by Molmil
Cryo-EM structure of the flagellar proximal rod with FliF peptides from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E80
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BU of 7e80 by Molmil
Cryo-EM structure of the flagellar rod with hook and export apparatus from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021

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