2JST
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![BU of 2jst by Molmil](/molmil-images/mine/2jst) | Four-Alpha-Helix Bundle with Designed Anesthetic Binding Pockets II: Halothane Effects on Structure and Dynamics | Descriptor: | 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE, Four-Alpha-Helix Bundle | Authors: | Cui, T, Bondarenko, V, Ma, D, Canlas, C, Brandon, N.R, Johansson, J.S, Tang, P, Xu, Y. | Deposit date: | 2007-07-12 | Release date: | 2008-05-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 3uc7 by Molmil](/molmil-images/mine/3uc7) | Trp-cage cyclo-TC1 - monoclinic crystal form | Descriptor: | CHLORIDE ION, Cyclo-TC1 | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | 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
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![BU of 2lff by Molmil](/molmil-images/mine/2lff) | Solution structure of Diiron protein in presence of 8 eq Zn2+, Northeast Structural Genomics consortium target OR21 | Descriptor: | Diiron protein, ZINC ION | Authors: | Pires, M, Wu, Y, Mills, J.L, Reig, A, Englander, W, Degrado, W, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-06-29 | Release date: | 2011-08-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of Diiron protein in presence of 8 eq Zn2+ To be Published
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2HKD
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![BU of 2hkd by Molmil](/molmil-images/mine/2hkd) | |
2LFD
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![BU of 2lfd by Molmil](/molmil-images/mine/2lfd) | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+, Northeast Structural Genomics Consortium Target OR21 | Descriptor: | Diiron protein, ZINC ION | Authors: | Wu, Y, Pires, M, Mills, J.L, Reig, A, Szyperski, T, Degrado, W, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-06-29 | Release date: | 2011-08-24 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of Diiron protein in presence of 2 eq Zn2+ To be Published
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2AXI
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![BU of 2axi by Molmil](/molmil-images/mine/2axi) | HDM2 in complex with a beta-hairpin | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, SULFATE ION, Ubiquitin-protein ligase E3 Mdm2, ... | Authors: | Mittl, P.R.E, Fasan, R, Robinson, J, Gruetter, M.G. | Deposit date: | 2005-09-05 | Release date: | 2006-03-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 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
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![BU of 2jre by Molmil](/molmil-images/mine/2jre) | C60-1, a PDZ domain designed using statistical coupling analysis | Descriptor: | C60-1 PDZ domain peptide | Authors: | Larson, C, Stiffler, M, Li, P, Rosen, M, MacBeath, G, Ranganathan, R. | Deposit date: | 2007-06-25 | Release date: | 2008-07-01 | Last modified: | 2023-12-20 | Method: | SOLUTION NMR | Cite: | C60-1, a PDZ domain designed using statistical coupling analysis To be Published
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2QXT
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![BU of 2qxt by Molmil](/molmil-images/mine/2qxt) | |
1E7Q
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![BU of 1e7q by Molmil](/molmil-images/mine/1e7q) | GDP 4-keto-6-deoxy-D-mannose epimerase reductase S107A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ... | Authors: | Rosano, C, Izzo, G, Bolognesi, M. | Deposit date: | 2000-09-07 | Release date: | 2000-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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![BU of 1e6u by Molmil](/molmil-images/mine/1e6u) | GDP 4-keto-6-deoxy-D-mannose epimerase reductase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYLPHOSPHATE, GDP-FUCOSE SYNTHETASE, ... | Authors: | Rosano, C, Izzo, G, Bolognesi, M. | Deposit date: | 2000-08-23 | Release date: | 2000-10-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | 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
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![BU of 2l99 by Molmil](/molmil-images/mine/2l99) | Solution structure of LAK160-P10 | Descriptor: | LAK160-P10 | Authors: | Vermeer, L.S, Bui, T.T, Lan, Y, Jumagulova, E, Kozlowska, J, McIntyre, C, Drake, A.F, Mason, J.A. | Deposit date: | 2011-02-03 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 3vcd by Molmil](/molmil-images/mine/3vcd) | Computationally Designed Self-assembling Octahedral Cage protein, O333, Crystallized in space group R32 | Descriptor: | CHLORIDE ION, Propanediol utilization polyhedral body protein PduT, SULFATE ION | Authors: | Sawaya, M.R, King, N.P, Sheffler, W, Baker, D, Yeates, T.O. | Deposit date: | 2012-01-03 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Computational design of self-assembling protein nanomaterials with atomic level accuracy. Science, 336, 2012
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2L9A
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![BU of 2l9a by Molmil](/molmil-images/mine/2l9a) | Solution structure of LAK160-P12 | Descriptor: | LAK160-P12 | Authors: | Vermeer, L.S, Bui, T.T, Lan, Y, Jumagulova, E, Kozlowska, J, McIntyre, C, Drake, A.F, Mason, J.A. | Deposit date: | 2011-02-03 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | 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
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![BU of 2lch by Molmil](/molmil-images/mine/2lch) | Solution NMR Structure of a Protein With a Redesigned Hydrophobic Core, Northeast Structural Genomics Consortium Target OR38 | Descriptor: | Protein OR38 | Authors: | Mills, J.L, Murphy, G, Miley, M, Machius, M, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-04-29 | Release date: | 2011-05-25 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | 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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![BU of 2l6b by Molmil](/molmil-images/mine/2l6b) | |
2LL5
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![BU of 2ll5 by Molmil](/molmil-images/mine/2ll5) | Cyclo-TC1 Trp-cage | Descriptor: | Cyclo-TC1 | Authors: | Lin, J.C, Scian, M, Andersen, N.H. | Deposit date: | 2011-10-26 | Release date: | 2012-07-18 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | 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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![BU of 2qxu by Molmil](/molmil-images/mine/2qxu) | |
2LDJ
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![BU of 2ldj by Molmil](/molmil-images/mine/2ldj) | 1H Chemical Shift Assignments and structure of Trp-Cage mini-protein with D-amino acid | Descriptor: | Trp-Cage mini-protein | Authors: | Granillo, A.R, Annavarapu, S, Zhang, L, Koder, R, Nanda, V. | Deposit date: | 2011-05-27 | Release date: | 2011-11-23 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Computational Design of Thermostabilizing d-Amino Acid Substitutions. J.Am.Chem.Soc., 133, 2011
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4WYO
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![BU of 4wyo by Molmil](/molmil-images/mine/4wyo) | |
4Q1A
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![BU of 4q1a by Molmil](/molmil-images/mine/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} | Descriptor: | 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2015-02-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4PY8
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![BU of 4py8 by Molmil](/molmil-images/mine/4py8) | Crystal structure of Fab 3.1 in complex with the 1918 influenza virus hemagglutinin | Descriptor: | 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, ... | Authors: | Dreyfus, C. | Deposit date: | 2014-03-26 | Release date: | 2014-05-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | 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
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![BU of 4xha by Molmil](/molmil-images/mine/4xha) | Crystal structure of Thosea asigna virus RNA-dependent RNA polymerase (RdRP) complexed with Lu3+ | Descriptor: | GLYCEROL, LUTETIUM (III) ION, RNA-dependent RNA polymerase, ... | Authors: | Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N. | Deposit date: | 2015-01-05 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | 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
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![BU of 4q1c by Molmil](/molmil-images/mine/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} | Descriptor: | 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 | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. J.Med.Chem., 57, 2014
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4Q1F
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![BU of 4q1f by Molmil](/molmil-images/mine/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} | Descriptor: | 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 | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-04-03 | Release date: | 2014-11-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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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![BU of 4q7e by Molmil](/molmil-images/mine/4q7e) | Non-phosphorylated HemR Receiver Domain from Leptospira biflexa | Descriptor: | GLYCEROL, Response regulator of a two component regulatory system, SULFATE ION | Authors: | Morero, N.R, Buschiazzo, A. | Deposit date: | 2014-04-24 | Release date: | 2014-05-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.441 Å) | Cite: | HemR is an OmpR/PhoB-like response regulator from Leptospira, which simultaneously effects transcriptional activation and repression of key haem metabolism genes. Mol.Microbiol., 94, 2014
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