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3HX0
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BU of 3hx0 by Molmil
ternary complex of L277A, H511A, R514 mutant pol lambda bound to a 2 nucleotide gapped DNA substrate with a scrunched dA
分子名称: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*AP*TP*AP*CP*TP*G)-3', ...
著者Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A.
登録日2009-06-19
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Scrunching During DNA Repair Synthesis
To be Published
3QRI
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BU of 3qri by Molmil
The crystal structure of human abl1 kinase domain in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3HW8
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BU of 3hw8 by Molmil
ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site
分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ...
著者Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Havener, J.M, Perera, L, Krahn, J.M, Pedersen, L.C, Ramsden, D.A, Kunkel, T.A.
登録日2009-06-17
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scrunching Durning DNA Repair Synthesis
To be Published
3HWT
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BU of 3hwt by Molmil
Ternary complex of DNA polymerase lambda bound to a two nucleotide gapped DNA substrate with a scrunched dA
分子名称: 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ...
著者Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Pedersen, L.C, Kunkel, T.A.
登録日2009-06-18
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Scrunching during DNA repair synthesis
To be Published
3HY2
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BU of 3hy2 by Molmil
Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and ATP:Mg2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxiredoxin-1, ...
著者Jonsson, T.J, Johnson, L.C, Lowther, W.T.
登録日2009-06-22
公開日2009-10-06
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein Engineering of the Quaternary Sulfiredoxin-Peroxiredoxin Enzyme-Substrate Complex Reveals the Molecular Basis for Cysteine Sulfinic Acid Phosphorylation
J.Biol.Chem., 284, 2009
3QRJ
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BU of 3qrj by Molmil
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
分子名称: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3PNC
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BU of 3pnc by Molmil
Ternary crystal structure of a polymerase lambda variant with a GT mispair at the primer terminus and sodium at catalytic metal site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*CP*AP*GP*TP*AP*G)-3', ...
著者Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2010-11-18
公開日2011-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ISC
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BU of 3isc by Molmil
Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
3ISD
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BU of 3isd by Molmil
Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch
分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
3R0W
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BU of 3r0w by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors.
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3I9I
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BU of 3i9i by Molmil
Crystal structure of human transthyretin variant A25T - #2
分子名称: TRIETHYLENE GLYCOL, Transthyretin
著者Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R.
登録日2009-07-11
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human transthyretin variant A25T - #2
To be Published
3I9A
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BU of 3i9a by Molmil
Crystal structure of human transthyretin variant A25T - #1
分子名称: TRIETHYLENE GLYCOL, Transthyretin
著者Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R.
登録日2009-07-10
公開日2010-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of human transthyretin variant A25T - #1
To be Published
3ISB
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BU of 3isb by Molmil
Binary complex of human DNA polymerase beta with a gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
3KKJ
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BU of 3kkj by Molmil
X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10
分子名称: Amine oxidase, flavin-containing, FLAVIN-ADENINE DINUCLEOTIDE
著者Kuzin, A.P, Chen, Y, Forouhar, F, Vorobiev, S, Acton, T, Ma, L.C, Xiao, R, Montelione, G.T, Hunt, J.F, Tong, T, Northeast Structural Genomics Consortium (NESG)
登録日2009-11-05
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10
To be Published
3SO9
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BU of 3so9 by Molmil
Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease
著者Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A.
登録日2011-06-30
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
3SPK
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BU of 3spk by Molmil
Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE
著者Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2011-07-01
公開日2011-10-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The higher barrier of darunavir and tipranavir resistance for HIV-1 protease.
Biochem.Biophys.Res.Commun., 412, 2011
3K1A
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BU of 3k1a by Molmil
Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ...
著者Peters, J.W, Sarma, R, Barney, B.M, Keable, S, Seefeldt, L.C, Dean, D.R.
登録日2009-09-26
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70(Ile) MoFe protein variant
J.Inorg.Biochem., 104, 2010
3PML
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BU of 3pml by Molmil
crystal structure of a polymerase lambda variant with a dGTP analog opposite a templating T
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 5'-D(*CP*AP*GP*TP*AP*C)-3', 5'-D(*CP*GP*GP*CP*TP*GP*TP*AP*CP*TP*G)-3', ...
著者Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2010-11-17
公開日2011-01-26
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PMN
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BU of 3pmn by Molmil
ternary crystal structure of polymerase lambda variant with a GT mispair at the primer terminus with Mn2+ in the active site
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine, 5'-D(*CP*AP*GP*TP*AP*G)-3', 5'-D(*CP*GP*GP*CP*CP*TP*TP*AP*CP*TP*G)-3', ...
著者Bebenek, K, Pedersen, L.C, Kunkel, T.A.
登録日2010-11-17
公開日2011-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Replication infidelity via a mismatch with Watson-Crick geometry.
Proc.Natl.Acad.Sci.USA, 108, 2011
3R66
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BU of 3r66 by Molmil
Crystal structure of human ISG15 in complex with NS1 N-terminal region from influenza virus B, Northeast Structural Genomics Consortium Target IDs HX6481, HR2873, and OR2
分子名称: Non-structural protein 1, Ubiquitin-like protein ISG15
著者Guan, R, Ma, L.C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2011-03-21
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of the complex of ISG15 and Influenza B virus NS1 Protein: implications for the mechanism of SN1-mediated inhibition of ISG15 conjugation
To be Published
3UAN
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BU of 3uan by Molmil
Crystal structure of 3-O-sulfotransferase (3-OST-1) with bound PAP and heptasaccharide substrate
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, ADENOSINE-3'-5'-DIPHOSPHATE, ...
著者Moon, A.F, Xu, Y, Woody, S.M, Krahn, J.M, Linhardt, R.J, Liu, J, Pedersen, L.C.
登録日2011-10-21
公開日2012-04-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Dissecting the substrate recognition of 3-O-sulfotransferase for the biosynthesis of anticoagulant heparin.
Proc.Natl.Acad.Sci.USA, 109, 2012
2C0X
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BU of 2c0x by Molmil
MOLECULAR STRUCTURE OF FD FILAMENTOUS BACTERIOPHAGE REFINED WITH RESPECT TO X-RAY FIBRE DIFFRACTION AND SOLID-STATE NMR DATA
分子名称: COAT PROTEIN B
著者Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K.
登録日2005-09-08
公開日2005-12-14
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Molecular Structure of Fd (F1, M13) Filamentous Bacteriophage Refined with Respect to X-Ray Fibre Diffraction and Solid-State NMR Data Supports Specific Models of Phage Assembly at the Bacterial Membrane.
J.Mol.Biol., 355, 2006
2C0W
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BU of 2c0w by Molmil
Molecular Structure of fd Filamentous Bacteriophage Refined with Respect to X-ray Fibre Diffraction
分子名称: COAT PROTEIN B
著者Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K.
登録日2005-09-08
公開日2005-12-14
最終更新日2024-02-14
実験手法FIBER DIFFRACTION (3.2 Å)
主引用文献Molecular Structure of Fd (F1, M13) Filamentous Bacteriophage Refined with Respect to X-Ray Fibre Diffraction and Solid-State NMR Data Supports Specific Models of Phage Assembly at the Bacterial Membrane.
J.Mol.Biol., 355, 2006

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