3HX0
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![BU of 3hx0 by Molmil](/molmil-images/mine/3hx0) | ternary complex of L277A, H511A, R514 mutant pol lambda bound to a 2 nucleotide gapped DNA substrate with a scrunched dA | Descriptor: | 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', ... | Authors: | 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. | Deposit date: | 2009-06-19 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Scrunching During DNA Repair Synthesis To be Published
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3QRI
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![BU of 3qri by Molmil](/molmil-images/mine/3qri) | The crystal structure of human abl1 kinase domain in complex with DCC-2036 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2011-02-18 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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3HW8
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![BU of 3hw8 by Molmil](/molmil-images/mine/3hw8) | ternary complex of DNA polymerase lambda of a two nucleotide gapped DNA substrate with a C in the scrunch site | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', ... | Authors: | 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. | Deposit date: | 2009-06-17 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scrunching Durning DNA Repair Synthesis To be Published
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3HWT
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![BU of 3hwt by Molmil](/molmil-images/mine/3hwt) | Ternary complex of DNA polymerase lambda bound to a two nucleotide gapped DNA substrate with a scrunched dA | Descriptor: | 1,2-ETHANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*(2DT))-3', ... | Authors: | Garcia-Diaz, M, Bebenek, K, Larrea, A.A, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2009-06-18 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Scrunching during DNA repair synthesis To be Published
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3HY2
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![BU of 3hy2 by Molmil](/molmil-images/mine/3hy2) | Crystal Structure of Sulfiredoxin in Complex with Peroxiredoxin I and ATP:Mg2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Peroxiredoxin-1, ... | Authors: | Jonsson, T.J, Johnson, L.C, Lowther, W.T. | Deposit date: | 2009-06-22 | Release date: | 2009-10-06 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein Engineering of the Quaternary Sulfiredoxin-Peroxiredoxin Enzyme-Substrate Complex Reveals the Molecular Basis for Cysteine Sulfinic Acid Phosphorylation J.Biol.Chem., 284, 2009
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3QRJ
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![BU of 3qrj by Molmil](/molmil-images/mine/3qrj) | The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2011-02-18 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 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
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3QRK
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![BU of 3qrk by Molmil](/molmil-images/mine/3qrk) | The crystal structure of human abl1 kinase domain in complex with DP-987 | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2011-02-18 | Release date: | 2011-06-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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3PNC
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![BU of 3pnc by Molmil](/molmil-images/mine/3pnc) | Ternary crystal structure of a polymerase lambda variant with a GT mispair at the primer terminus and sodium at catalytic metal site | Descriptor: | 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', ... | Authors: | Bebenek, K, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2010-11-18 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Replication infidelity via a mismatch with Watson-Crick geometry. Proc.Natl.Acad.Sci.USA, 108, 2011
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3ISC
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![BU of 3isc by Molmil](/molmil-images/mine/3isc) | Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA | Descriptor: | 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', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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3ISD
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![BU of 3isd by Molmil](/molmil-images/mine/3isd) | Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch | Descriptor: | 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', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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3R0W
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![BU of 3r0w by Molmil](/molmil-images/mine/3r0w) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | 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 | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3I9I
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![BU of 3i9i by Molmil](/molmil-images/mine/3i9i) | Crystal structure of human transthyretin variant A25T - #2 | Descriptor: | TRIETHYLENE GLYCOL, Transthyretin | Authors: | Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-07-11 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human transthyretin variant A25T - #2 To be Published
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3I9A
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![BU of 3i9a by Molmil](/molmil-images/mine/3i9a) | Crystal structure of human transthyretin variant A25T - #1 | Descriptor: | TRIETHYLENE GLYCOL, Transthyretin | Authors: | Palmieri, L.C, Freire, J.B.B, Palhano, F.L, Azevedo, E.P.C, Foguel, D, Lima, L.M.T.R. | Deposit date: | 2009-07-10 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of human transthyretin variant A25T - #1 To be Published
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3ISB
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![BU of 3isb by Molmil](/molmil-images/mine/3isb) | Binary complex of human DNA polymerase beta with a gapped DNA | Descriptor: | 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', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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3KKJ
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![BU of 3kkj by Molmil](/molmil-images/mine/3kkj) | X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10 | Descriptor: | Amine oxidase, flavin-containing, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | 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) | Deposit date: | 2009-11-05 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast Structural Genomics Consortium target PsR10 To be Published
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3SO9
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![BU of 3so9 by Molmil](/molmil-images/mine/3so9) | Darunavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | Descriptor: | (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 | Authors: | Wang, Y, Liu, Z, Brunzelle, S.J, Kovari, L.C, Kovari, I.A. | Deposit date: | 2011-06-30 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease. Biochem.Biophys.Res.Commun., 412, 2011
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3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | 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 | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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3SPK
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![BU of 3spk by Molmil](/molmil-images/mine/3spk) | Tipranavir in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | Descriptor: | 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 | Authors: | Wang, Y, Liu, Z, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | Deposit date: | 2011-07-01 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The higher barrier of darunavir and tipranavir resistance for HIV-1 protease. Biochem.Biophys.Res.Commun., 412, 2011
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3K1A
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![BU of 3k1a by Molmil](/molmil-images/mine/3k1a) | Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(7)-MO-S(9)-N CLUSTER, ... | Authors: | Peters, J.W, Sarma, R, Barney, B.M, Keable, S, Seefeldt, L.C, Dean, D.R. | Deposit date: | 2009-09-26 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | 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
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3PML
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![BU of 3pml by Molmil](/molmil-images/mine/3pml) | crystal structure of a polymerase lambda variant with a dGTP analog opposite a templating T | Descriptor: | 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', ... | Authors: | Bebenek, K, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2010-11-17 | Release date: | 2011-01-26 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Replication infidelity via a mismatch with Watson-Crick geometry. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PMN
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![BU of 3pmn by Molmil](/molmil-images/mine/3pmn) | ternary crystal structure of polymerase lambda variant with a GT mispair at the primer terminus with Mn2+ in the active site | Descriptor: | 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', ... | Authors: | Bebenek, K, Pedersen, L.C, Kunkel, T.A. | Deposit date: | 2010-11-17 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Replication infidelity via a mismatch with Watson-Crick geometry. Proc.Natl.Acad.Sci.USA, 108, 2011
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3R66
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![BU of 3r66 by Molmil](/molmil-images/mine/3r66) | 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 | Descriptor: | Non-structural protein 1, Ubiquitin-like protein ISG15 | Authors: | Guan, R, Ma, L.C, Krug, R.M, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-03-21 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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
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3UAN
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![BU of 3uan by Molmil](/molmil-images/mine/3uan) | Crystal structure of 3-O-sulfotransferase (3-OST-1) with bound PAP and heptasaccharide substrate | Descriptor: | 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, ... | Authors: | Moon, A.F, Xu, Y, Woody, S.M, Krahn, J.M, Linhardt, R.J, Liu, J, Pedersen, L.C. | Deposit date: | 2011-10-21 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Dissecting the substrate recognition of 3-O-sulfotransferase for the biosynthesis of anticoagulant heparin. Proc.Natl.Acad.Sci.USA, 109, 2012
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2C0X
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![BU of 2c0x by Molmil](/molmil-images/mine/2c0x) | MOLECULAR STRUCTURE OF FD FILAMENTOUS BACTERIOPHAGE REFINED WITH RESPECT TO X-RAY FIBRE DIFFRACTION AND SOLID-STATE NMR DATA | Descriptor: | COAT PROTEIN B | Authors: | Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K. | Deposit date: | 2005-09-08 | Release date: | 2005-12-14 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | 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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2C0W
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![BU of 2c0w by Molmil](/molmil-images/mine/2c0w) | Molecular Structure of fd Filamentous Bacteriophage Refined with Respect to X-ray Fibre Diffraction | Descriptor: | COAT PROTEIN B | Authors: | Marvin, D.A, Welsh, L.C, Symmons, M.F, Scott, W.R.P, Straus, S.K. | Deposit date: | 2005-09-08 | Release date: | 2005-12-14 | Last modified: | 2024-02-14 | Method: | FIBER DIFFRACTION (3.2 Å) | Cite: | 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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