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3MIP
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BU of 3mip by Molmil
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
3L37
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BU of 3l37 by Molmil
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
3L35
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BU of 3l35 by Molmil
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
3M22
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BU of 3m22 by Molmil
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
3MLG
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BU of 3mlg by Molmil
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
5K7V
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BU of 5k7v by Molmil
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
5KBA
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BU of 5kba by Molmil
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
3LHZ
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BU of 3lhz by Molmil
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
3MIS
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BU of 3mis by Molmil
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
3GDT
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BU of 3gdt by Molmil
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
3M24
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BU of 3m24 by Molmil
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
3HEY
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BU of 3hey by Molmil
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
3HE5
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BU of 3he5 by Molmil
Heterospecific coiled-coil pair SYNZIP2:SYNZIP1
Descriptor: SYNZIP1, SYNZIP2
Authors:Reinke, A.W, Grant, R.A, Keating, A.E.
Deposit date:2009-05-07
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A synthetic coiled-coil interactome provides heterospecific modules for molecular engineering.
J.Am.Chem.Soc., 132, 2010
3HEW
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BU of 3hew by Molmil
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 22
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and a cyclic beta-residue at position 22
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
3HE4
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BU of 3he4 by Molmil
Heterospecific coiled-coil pair SYNZIP5:SYNZIP6
Descriptor: SYNZIP5, SYNZIP6
Authors:Reinke, A.W, Grant, R.A, Keating, A.E.
Deposit date:2009-05-07
Release date:2010-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:A synthetic coiled-coil interactome provides heterospecific modules for molecular engineering.
J.Am.Chem.Soc., 132, 2010
3HET
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BU of 3het by Molmil
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 10
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and a cyclic beta-residue at position 10
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 (2.1 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
3L36
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BU of 3l36 by Molmil
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
3HEU
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BU of 3heu by Molmil
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 13
Descriptor: NONAETHYLENE GLYCOL, alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and a cyclic beta-residue at position 13
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
3HEV
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BU of 3hev by Molmil
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 19
Descriptor: alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and a cyclic beta-residue at position 19
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
3J40
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BU of 3j40 by Molmil
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
6G6P
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BU of 6g6p by Molmil
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
7KXS
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BU of 7kxs by Molmil
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
6G6M
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BU of 6g6m by Molmil
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
6G6Q
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BU of 6g6q by Molmil
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
6FPB
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BU of 6fpb by Molmil
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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