3MIP
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![BU of 3mip by Molmil](/molmil-images/mine/3mip) | I-MsoI re-designed for altered DNA cleavage specificity (-8GCG) | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*CP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*CP*TP*CP*CP*G)-3'), ... | Authors: | Taylor, G.K, Stoddard, B.L. | Deposit date: | 2010-04-11 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs. Nucleic Acids Res., 38, 2010
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3L37
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![BU of 3l37 by Molmil](/molmil-images/mine/3l37) | PIE12 D-peptide against HIV entry | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | Deposit date: | 2009-12-16 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol., 84, 2010
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3L35
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![BU of 3l35 by Molmil](/molmil-images/mine/3l35) | PIE12 D-peptide against HIV entry | Descriptor: | GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | Deposit date: | 2009-12-16 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol., 84, 2010
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3M22
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![BU of 3m22 by Molmil](/molmil-images/mine/3m22) | Crystal structure of TagRFP fluorescent protein | Descriptor: | TagRFP | Authors: | Malashkevich, V.N, Subach, O.M, Ramagopal, U.A, Almo, S.C, Verkhusha, V.V. | Deposit date: | 2010-03-06 | Release date: | 2010-05-12 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of acylimine-containing blue and red chromophores in mTagBFP and TagRFP fluorescent proteins. Chem.Biol., 17, 2010
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3MLG
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![BU of 3mlg by Molmil](/molmil-images/mine/3mlg) | 2ouf-2x, a designed knotted protein | Descriptor: | 2X chimera of Helicobacter pylori protein HP0242 | Authors: | King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O. | Deposit date: | 2010-04-16 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure and folding of a designed knotted protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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5K7V
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![BU of 5k7v by Molmil](/molmil-images/mine/5k7v) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein HR00C3 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-05-26 | Release date: | 2017-04-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.165 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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5KBA
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![BU of 5kba by Molmil](/molmil-images/mine/5kba) | Computational Design of Self-Assembling Cyclic Protein Homooligomers | Descriptor: | Designed protein ANK1C2 | Authors: | Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D. | Deposit date: | 2016-06-02 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Computational design of self-assembling cyclic protein homo-oligomers. Nat Chem, 9, 2017
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3LHZ
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![BU of 3lhz by Molmil](/molmil-images/mine/3lhz) | Crystal structure of the mutant V201A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-01-23 | Release date: | 2010-06-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: "remote" residues that stabilize the active conformation. Biochemistry, 49, 2010
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3MIS
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![BU of 3mis by Molmil](/molmil-images/mine/3mis) | I-MsoI re-designed for altered DNA cleavage specificity (-8G) | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ... | Authors: | Taylor, G.K, Stoddard, B.L. | Deposit date: | 2010-04-12 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs. Nucleic Acids Res., 38, 2010
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3GDT
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![BU of 3gdt by Molmil](/molmil-images/mine/3gdt) | Crystal structure of the D91N mutant of the orotidine 5'-monophosphate decarboxylase from Saccharomyces cerevisiae complexed with 6-azauridine 5'-monophosphate | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2009-02-24 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization. Biochemistry, 48, 2009
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3M24
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![BU of 3m24 by Molmil](/molmil-images/mine/3m24) | Crystal structure of TagBFP fluorescent protein | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | Authors: | Malashkevich, V.N, Subach, O.M, Almo, S.C, Verkhusha, V.V. | Deposit date: | 2010-03-06 | Release date: | 2010-05-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of acylimine-containing blue and red chromophores in mTagBFP and TagRFP fluorescent proteins. Chem.Biol., 17, 2010
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3HEY
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![BU of 3hey by Molmil](/molmil-images/mine/3hey) | Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with cyclic beta-residues at positions 1, 4, 10, 19 and 28 | Descriptor: | ACETATE ION, alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and cyclic beta-residues at positions 1, 4, ... | Authors: | Horne, W.S, Price, J.L, Gellman, S.H. | Deposit date: | 2009-05-10 | Release date: | 2010-04-21 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural consequences of beta-amino acid preorganization in a self-assembling alpha/beta-peptide: fundamental studies of foldameric helix bundles. J.Am.Chem.Soc., 132, 2010
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3HE5
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![BU of 3he5 by Molmil](/molmil-images/mine/3he5) | |
3HEW
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![BU of 3hew by Molmil](/molmil-images/mine/3hew) | |
3HE4
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![BU of 3he4 by Molmil](/molmil-images/mine/3he4) | |
3HET
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![BU of 3het by Molmil](/molmil-images/mine/3het) | |
3L36
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![BU of 3l36 by Molmil](/molmil-images/mine/3l36) | PIE12 D-peptide against HIV entry | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GP41 N-PEPTIDE, HIV ENTRY INHIBITOR PIE12 | Authors: | Welch, B.D, Redman, J.S, Paul, S, Whitby, F.G, Weinstock, M.T, Reeves, J.D, Lie, Y.S, Eckert, D.M, Hill, C.P, Root, M.J, Kay, M.S. | Deposit date: | 2009-12-16 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance. J.Virol., 84, 2010
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3HEU
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![BU of 3heu by Molmil](/molmil-images/mine/3heu) | |
3HEV
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![BU of 3hev by Molmil](/molmil-images/mine/3hev) | |
3J40
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![BU of 3j40 by Molmil](/molmil-images/mine/3j40) | Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling | Descriptor: | gp10, gp7 | Authors: | Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W. | Deposit date: | 2013-05-30 | Release date: | 2013-07-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling. Proc.Natl.Acad.Sci.USA, 110, 2013
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6G6P
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![BU of 6g6p by Molmil](/molmil-images/mine/6g6p) | Crystal structure of the computationally designed Ika8 protein: crystal packing No.2 in P63 | Descriptor: | Ika8 | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2018-04-01 | Release date: | 2018-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins. IUCrJ, 6, 2019
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7KXS
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![BU of 7kxs by Molmil](/molmil-images/mine/7kxs) | Computational design of constitutively active cGAS | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P. | Deposit date: | 2020-12-04 | Release date: | 2021-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computational design of constitutively active cGAS. Nat.Struct.Mol.Biol., 30, 2023
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6G6M
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![BU of 6g6m by Molmil](/molmil-images/mine/6g6m) | Crystal structure of the computationally designed Tako8 protein in P42212 | Descriptor: | SULFATE ION, Tako8 | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2018-04-01 | Release date: | 2018-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins. IUCrJ, 6, 2019
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6G6Q
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![BU of 6g6q by Molmil](/molmil-images/mine/6g6q) | Crystal structure of the computationally designed Ika4 protein | Descriptor: | Ika4 | Authors: | Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D. | Deposit date: | 2018-04-01 | Release date: | 2018-11-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computational design of symmetrical eight-bladed beta-propeller proteins. IUCrJ, 6, 2019
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6FPB
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![BU of 6fpb by Molmil](/molmil-images/mine/6fpb) | Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group I4 | Descriptor: | CHLORIDE ION, DARPin 1238_G01 | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | Deposit date: | 2018-02-09 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.617 Å) | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations. Biol Open, 7, 2018
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