2JST
 
 | | Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics | | 分子名称: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, Four-Alpha-Helix Bundle | | 著者 | Cui, T, Bondarenko, V, Ma, D, Canlas, C, Brandon, N.R, Johansson, J.S, Tang, P, Xu, Y. | | 登録日 | 2007-07-12 | | 公開日 | 2008-05-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Four-alpha-helix bundle with designed anesthetic binding pockets. Part II: halothane effects on structure and dynamics
Biophys.J., 94, 2008
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3UC7
 | | Trp-cage cyclo-TC1 - monoclinic crystal form | | 分子名称: | CHLORIDE ION, Cyclo-TC1 | | 著者 | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | | 登録日 | 2011-10-26 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2LFF
 | | Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21 | | 分子名称: | Diiron protein, ZINC ION | | 著者 | Pires, M, Wu, Y, Mills, J.L, Reig, A, Englander, W, Degrado, W, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2011-06-29 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of Diiron protein in presence of 8 eq Zn2+
To be Published
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2HKD
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2LFD
 | | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+, Northeast Structural Genomics Consortium Target OR21 | | 分子名称: | Diiron protein, ZINC ION | | 著者 | Wu, Y, Pires, M, Mills, J.L, Reig, A, Szyperski, T, Degrado, W, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2011-06-29 | | 公開日 | 2011-08-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+
To be Published
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2AXI
 | | HDM2 in complex with a beta-hairpin | | 分子名称: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, ... | | 著者 | Mittl, P.R.E, Fasan, R, Robinson, J, Gruetter, M.G. | | 登録日 | 2005-09-05 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Activity Studies in a Family of beta-Hairpin Protein Epitope Mimetic Inhibitors of the p53-HDM2 Protein-Protein Interaction.
Chembiochem, 7, 2006
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2JRE
 | | C60-1, a PDZ domain designed using statistical coupling analysis | | 分子名称: | C60-1 PDZ domain peptide | | 著者 | Larson, C, Stiffler, M, Li, P, Rosen, M, MacBeath, G, Ranganathan, R. | | 登録日 | 2007-06-25 | | 公開日 | 2008-07-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | C60-1, a PDZ domain designed using statistical coupling analysis
To be Published
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2QXT
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1E7Q
 | | GDP 4-keto-6-deoxy-D-mannose epimerase reductase S107A | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ... | | 著者 | Rosano, C, Izzo, G, Bolognesi, M. | | 登録日 | 2000-09-07 | | 公開日 | 2000-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Probing the Catalytic Mechanism of Gdp-4-Keto-6-Deoxy-D-Mannose Epimerase/Reductase by Kinetic and Crystallographic Characterization of Site-Specific Mutants
J.Mol.Biol., 303, 2000
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1E6U
 | | GDP 4-keto-6-deoxy-D-mannose epimerase reductase | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ... | | 著者 | Rosano, C, Izzo, G, Bolognesi, M. | | 登録日 | 2000-08-23 | | 公開日 | 2000-10-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Probing the Catalytic Mechanism of Gdp-4-Keto-6-Deoxy-D-Mannose Epimerase/Reductase by Kinetic and Crystallographic Characterization of Site-Specific Mutants
J.Mol.Biol., 303, 2000
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2L99
 | | Solution structure of LAK160-P10 | | 分子名称: | LAK160-P10 | | 著者 | Vermeer, L.S, Bui, T.T, Lan, Y, Jumagulova, E, Kozlowska, J, McIntyre, C, Drake, A.F, Mason, J.A. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The role of proline induced conformational flexibility in determining the antibacterial potency of linear cationic alpha-helical peptides
To be Published
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3VCD
 | | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | | 分子名称: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | | 著者 | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | | 登録日 | 2012-01-03 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Computational design of self-assembling protein nanomaterials with atomic level accuracy.
Science, 336, 2012
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2L9A
 | | Solution structure of LAK160-P12 | | 分子名称: | LAK160-P12 | | 著者 | Vermeer, L.S, Bui, T.T, Lan, Y, Jumagulova, E, Kozlowska, J, McIntyre, C, Drake, A.F, Mason, J.A. | | 登録日 | 2011-02-03 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The role of proline induced conformational flexibility in determining the antibacterial potency of linear cationic alpha-helical peptides
To be Published
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2LCH
 | | Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38 | | 分子名称: | Protein OR38 | | 著者 | Mills, J.L, Murphy, G, Miley, M, Machius, M, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2011-04-29 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38
To be Published
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2L6B
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2LL5
 | | Cyclo-TC1 Trp-cage | | 分子名称: | Cyclo-TC1 | | 著者 | Lin, J.C, Scian, M, Andersen, N.H. | | 登録日 | 2011-10-26 | | 公開日 | 2012-07-18 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2QXU
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2LDJ
 | | 1H Chemical Shift Assignments and structure of Trp-Cage mini-protein with D-amino acid | | 分子名称: | Trp-Cage mini-protein | | 著者 | Granillo, A.R, Annavarapu, S, Zhang, L, Koder, R, Nanda, V. | | 登録日 | 2011-05-27 | | 公開日 | 2011-11-23 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Computational Design of Thermostabilizing d-Amino Acid Substitutions.
J.Am.Chem.Soc., 133, 2011
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4WYO
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4Q1A
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol} | | 分子名称: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | 著者 | Nomme, J, Lavie, A. | | 登録日 | 2014-04-03 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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4PY8
 | | Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | 著者 | Dreyfus, C. | | 登録日 | 2014-03-26 | | 公開日 | 2014-05-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Alternative Recognition of the Conserved Stem Epitope in Influenza A Virus Hemagglutinin by a VH3-30-Encoded Heterosubtypic Antibody.
J.Virol., 88, 2014
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4XHA
 | | Crystal structure of Thosea asigna virus RNA-dependent RNA polymerase (RdRP) complexed with Lu3+ | | 分子名称: | GLYCEROL, LUTETIUM (III) ION, RNA-dependent RNA polymerase, ... | | 著者 | Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N. | | 登録日 | 2015-01-05 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases.
Plos Pathog., 11, 2015
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4Q1C
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol} | | 分子名称: | 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | | 著者 | Nomme, J, Lavie, A. | | 登録日 | 2014-04-03 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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4Q1F
 | | Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide} | | 分子名称: | Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE | | 著者 | Nomme, J, Lavie, A. | | 登録日 | 2014-04-03 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
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4Q7E
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