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3M7K
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BU of 3m7k by Molmil
Crystal structure of PacI-DNA Enzyme product complex
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*TP*TP*AP*AP*T)-3'), DNA (5'-D(P*TP*AP*AP*GP*CP*CP*TP*C)-3'), ...
著者Shen, B.W, Stoddard, B.L.
登録日2010-03-16
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Unusual target site disruption by the rare-cutting HNH restriction endonuclease PacI.
Structure, 18, 2010
3S1S
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BU of 3s1s by Molmil
Characterization and crystal structure of the type IIG restriction endonuclease BpuSI
分子名称: 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ...
著者Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L.
登録日2011-05-16
公開日2011-07-13
最終更新日2011-10-19
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Nucleic Acids Res., 39, 2011
3MIP
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BU of 3mip by Molmil
I-MsoI re-designed for altered DNA cleavage specificity (-8GCG)
分子名称: 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'), ...
著者Taylor, G.K, Stoddard, B.L.
登録日2010-04-11
公開日2010-05-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEP
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BU of 5iep by Molmil
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
6GCH
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BU of 6gch by Molmil
STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS
分子名称: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A
著者Brady, K, Wei, A, Ringe, D, Abeles, R.H.
登録日1990-04-06
公開日1990-10-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
1A74
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BU of 1a74 by Molmil
I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX
分子名称: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*A P*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ZINC ION
著者Jurica, B.L, Flick, K.E, Monnat Junior, R.J, Stoddard, M.S.
登録日1998-03-19
公開日1998-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
分子名称: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
著者Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
登録日2023-03-23
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献De novo design of energy transfer proteins housing excitonically coupled chlorophyll special pairs
To Be Published
1VGC
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BU of 1vgc by Molmil
GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: GAMMA CHYMOTRYPSIN, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
著者Shen, B, Stoddard, B.
登録日2015-10-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
5E67
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BU of 5e67 by Molmil
K103A/K262A double mutant of I-SmaMI
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ...
著者Shen, B.W, Stoddard, B.
登録日2015-10-09
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
2GJH
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BU of 2gjh by Molmil
NMR Structure of CFr (C-terminal fragment of computationally designed novel-topology protein Top7)
分子名称: DESIGNED PROTEIN
著者Dantas, G.
登録日2006-03-30
公開日2006-10-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Mis-translation of a Computationally Designed Protein Yields an Exceptionally Stable Homodimer: Implications for Protein Engineering and Evolution.
J.Mol.Biol., 362, 2006
2I3P
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BU of 2i3p by Molmil
K28R mutant of Homing Endonuclease I-CreI
分子名称: 5'-D(*CP*GP*AP*AP*AP*TP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*AP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*TP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*AP*TP*TP*TP*CP*G)-3', CALCIUM ION, ...
著者Sussman, D, Rosen, L.
登録日2006-08-20
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
2I3Q
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BU of 2i3q by Molmil
Q44V mutant of Homing Endonuclease I-CreI
分子名称: 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*AP*CP*TP*CP*AP*CP*GP*TP*CP*GP*TP*TP*TP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*AP*AP*CP*GP*AP*CP*GP*TP*GP*AP*GP*TP*CP*AP*GP*TP*TP*TP*CP*G)-3', CALCIUM ION, ...
著者Rosen, L, Sussman, D.
登録日2006-08-20
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
3UVF
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BU of 3uvf by Molmil
Expanding LAGALIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Intron-encoded DNA endonuclease I-HjeMI, ...
著者Jacoby, K, Metzger, M, Shen, B, Jarjour, J, Stoddard, B, Scharenberg, A.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Expanding LAGLIDADG endonuclease scaffold diversity by rapidly surveying evolutionary sequence space.
Nucleic Acids Res., 40, 2012
2VGC
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BU of 2vgc by Molmil
GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
分子名称: De novo designed ferredoxin-ferredoxin domain insertion protein
著者DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
登録日2015-07-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
4IX0
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BU of 4ix0 by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
4IWW
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BU of 4iww by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
分子名称: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
著者Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
登録日2013-01-24
公開日2013-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
7T8K
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BU of 7t8k by Molmil
BrxR from Acinetobacter BREX type I phage restriction system bound to DNA
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ...
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
7T8L
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BU of 7t8l by Molmil
BrxR from Acinetobacter BREX type I phage restriction system
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
4OYD
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BU of 4oyd by Molmil
Crystal structure of a computationally designed inhibitor of an Epstein-Barr viral Bcl-2 protein
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
著者Shen, B, Procko, E, Baker, D, Stoddard, B.
登録日2014-02-11
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
3G77
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Bacterial cytosine deaminase V152A/F316C/D317G mutant
分子名称: Cytosine deaminase, FE (III) ION
著者Stoddard, B, Zhao, L.
登録日2009-02-09
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bacterial cytosine deaminase mutants created by molecular engineering show improved 5-fluorocytosine-mediated cell killing in vitro and in vivo.
Cancer Res., 69, 2009

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