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3HYJ
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BU of 3hyj by Molmil
Crystal structure of the N-terminal LAGLIDADG domain of DUF199/WhiA
Descriptor: CHLORIDE ION, GLYCEROL, Protein DUF199/WhiA, ...
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease.
Structure, 17, 2009
3HYI
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BU of 3hyi by Molmil
Crystal structure of full-length DUF199/WhiA from Thermatoga maritima
Descriptor: GLYCEROL, Protein DUF199/WhiA, SODIUM ION
Authors:Kaiser, B.K, Clifton, M.C, Shen, B.W, Stoddard, B.L.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:The structure of a bacterial DUF199/WhiA protein: domestication of an invasive endonuclease
Structure, 17, 2009
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.089 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.851 Å)
Cite: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
Descriptor: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.893 Å)
Cite: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
Descriptor: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
3VGC
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BU of 3vgc by Molmil
GAMMA-CHYMOTRYPSIN L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ACID INHIBITOR COMPLEX
Descriptor: GAMMA CHYMOTRYPSIN, L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
2VGC
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BU of 2vgc by Molmil
GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Descriptor: D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
Authors:Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
Deposit date:1997-05-01
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
1A74
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BU of 1a74 by Molmil
I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX
Descriptor: 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
Authors:Jurica, B.L, Flick, K.E, Monnat Junior, R.J, Stoddard, M.S.
Deposit date:1998-03-19
Release date:1998-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
Authors:Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
Deposit date:2023-03-23
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:De novo design of energy transfer proteins housing excitonically coupled chlorophyll special pairs
To Be Published
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
Descriptor: De novo designed ferredoxin-ferredoxin domain insertion protein
Authors:DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
Deposit date:2015-07-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.108 Å)
Cite:Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
5E63
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BU of 5e63 by Molmil
K262A mutant of I-SmaMI
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
Authors:Shen, B, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA bottom strand, ...
Authors:Shen, B.W, Stoddard, B.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
4IX0
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BU of 4ix0 by Molmil
Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy
Descriptor: NICKEL (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein
Authors:Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D.
Deposit date:2013-01-24
Release date:2013-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy.
J.Am.Chem.Soc., 135, 2013
7T8L
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BU of 7t8l by Molmil
BrxR from Acinetobacter BREX type I phage restriction system
Descriptor: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION
Authors:Doyle, L, Kaiser, B, Stoddard, B.
Deposit date:2021-12-16
Release date:2022-05-18
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
7T8K
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BU of 7t8k by Molmil
BrxR from Acinetobacter BREX type I phage restriction system bound to DNA
Descriptor: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ...
Authors:Doyle, L, Kaiser, B, Stoddard, B.
Deposit date:2021-12-16
Release date:2022-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, Computationally designed Inhibitor
Authors:Shen, B, Procko, E, Baker, D, Stoddard, B.
Deposit date:2014-02-11
Release date:2014-07-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A computationally designed inhibitor of an epstein-barr viral bcl-2 protein induces apoptosis in infected cells.
Cell, 157, 2014
2GJH
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BU of 2gjh by Molmil
NMR Structure of CFr (C-terminal fragment of computationally designed novel-topology protein Top7)
Descriptor: DESIGNED PROTEIN
Authors:Dantas, G.
Deposit date:2006-03-30
Release date:2006-10-17
Last modified:2022-03-09
Method:SOLUTION NMR
Cite: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
Descriptor: 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, ...
Authors:Sussman, D, Rosen, L.
Deposit date:2006-08-20
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Rosen, L, Sussman, D.
Deposit date:2006-08-20
Release date:2006-09-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Homing endonuclease I-CreI derivatives with novel DNA target specificities.
Nucleic Acids Res., 34, 2006
6GCH
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BU of 6gch by Molmil
STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS
Descriptor: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A
Authors:Brady, K, Wei, A, Ringe, D, Abeles, R.H.
Deposit date:1990-04-06
Release date:1990-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
5E5P
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BU of 5e5p by Molmil
Wild type I-SmaMI in the space group of C121
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease
Authors:Shen, B.W.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
5E5S
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BU of 5e5s by Molmil
I-SmaMI K103A mutant
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Bottom strand DNA, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ...
Authors:Shen, B.W.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016

220113

數據於2024-05-22公開中

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