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4YXS
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BU of 4yxs by Molmil
CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24
Descriptor: N-BENZYL-9H-PURIN-6-AMINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-20
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4YXR
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BU of 4yxr by Molmil
CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor.
Descriptor: 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Schiffer, A, Wendt, K.U.
Deposit date:2015-03-23
Release date:2015-05-27
Last modified:2015-06-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
3GKL
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BU of 3gkl by Molmil
Following evolutionary paths to high affinity and selectivity protein-protein interactions using Colicin7 and Immunity proteins
Descriptor: Colicin-E7, Colicin-E9 immunity protein, ZINC ION
Authors:Dym, O, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2009-03-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Following evolutionary paths to high affinity and selectivity protein-protein interactions
To be Published
3GJN
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BU of 3gjn by Molmil
Following evolutionary paths to high affinity and selectivity protein-protein interactions using Colicin7 and Immunity proteins
Descriptor: Colicin-E7, Colicin-E9 immunity protein, ZINC ION
Authors:Dym, O, Tawfik, D.S.
Deposit date:2009-03-09
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Following evolutionary paths to protein-protein interactions with high affinity and selectivity
Nat.Struct.Mol.Biol., 16, 2009
2RCI
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BU of 2rci by Molmil
High-resolution crystal structure of activated Cyt2Ba monomer from Bacillus thuringiensis subsp. israelensis
Descriptor: Type-2Ba cytolytic delta-endotoxin
Authors:Dym, O, Israel Structural Proteomics Center (ISPC)
Deposit date:2007-09-20
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structure of activated Cyt2Ba monomer from Bacillus thuringiensis subsp. israelensis.
J.Mol.Biol., 380, 2008
6OFT
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BU of 6oft by Molmil
The crystal structure of the first half of the periplasmic protease PqqL from Escherichia coli
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Grinter, R.
Deposit date:2019-04-01
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protease-associated import systems are widespread in Gram-negative bacteria.
Plos Genet., 15, 2019
6OFS
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BU of 6ofs by Molmil
The crystal structure of the periplasmic protease PqqL from Escherichia coli
Descriptor: CHLORIDE ION, Probable zinc protease PqqL, ZINC ION
Authors:Grinter, R.
Deposit date:2019-04-01
Release date:2019-10-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protease-associated import systems are widespread in Gram-negative bacteria.
Plos Genet., 15, 2019
6OFR
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BU of 6ofr by Molmil
The crystal structure of the outer membrane transporter YddB from Escherichia coli
Descriptor: GLYCEROL, MAGNESIUM ION, TonB-dependent outer membrane receptor, ...
Authors:Grinter, R.
Deposit date:2019-04-01
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protease-associated import systems are widespread in Gram-negative bacteria.
Plos Genet., 15, 2019
6QD7
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BU of 6qd7 by Molmil
EM structure of a EBOV-GP bound to 3T0331 neutralizing antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ...
Authors:Diskin, R, Cohen-Dvashi, H.
Deposit date:2019-01-01
Release date:2019-10-02
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Polyclonal and convergent antibody response to Ebola virus vaccine rVSV-ZEBOV.
Nat. Med., 25, 2019
6GJC
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BU of 6gjc by Molmil
Structure of Mycobacterium tuberculosis Fatty Acid Synthase - I
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase
Authors:Elad, N, Baron, S, Shakked, Z, Zimhony, O, Diskin, R.
Deposit date:2018-05-16
Release date:2018-09-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of Type-I Mycobacterium tuberculosis fatty acid synthase at 3.3 angstrom resolution.
Nat Commun, 9, 2018
6HAM
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BU of 6ham by Molmil
Adenylate kinase
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G.
Deposit date:2018-08-08
Release date:2019-08-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Manipulating the Folding Landscape of a Multidomain Protein.
J.Phys.Chem.B, 122, 2018
6HAP
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BU of 6hap by Molmil
Adenylate kinase
Descriptor: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE
Authors:Kantaev, R, Inbal, R, Goldenzweig, A, Barak, Y, Dym, O, Peleg, Y, Albek, S, Fleishman, S.J, Haran, G.
Deposit date:2018-08-08
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Manipulating the Folding Landscape of a Multidomain Protein.
J.Phys.Chem.B, 122, 2018
6V4V
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BU of 6v4v by Molmil
The crystal structure of BonA from Acinetobacter baumannii
Descriptor: BON domain protein, ZINC ION
Authors:Grinter, R.
Deposit date:2019-12-02
Release date:2021-06-02
Last modified:2021-08-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:BonA from Acinetobacter baumannii Forms a Divisome-Localized Decamer That Supports Outer Envelope Function.
Mbio, 2021
1H2D
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BU of 1h2d by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (Low-resolution VP40[31-212] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', CHLORIDE ION, MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-06
Release date:2003-04-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
1H2C
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BU of 1h2c by Molmil
Ebola virus matrix protein VP40 N-terminal domain in complex with RNA (High-resolution VP40[55-194] variant).
Descriptor: 5'-R(*UP*GP*AP)-3', MATRIX PROTEIN VP40
Authors:Gomis-Ruth, F.X, Dessen, A, Bracher, A, Klenk, H.D, Weissenhorn, W.
Deposit date:2002-08-05
Release date:2003-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Matrix Protein Vp40 from Ebola Virus Octamerizes Into Pore-Like Structures with Specific RNA Binding Properties
Structure, 11, 2003
3NQ8
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BU of 3nq8 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A
Descriptor: BENZAMIDINE, NITRATE ION, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPV
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BU of 3npv by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQ2
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BU of 3nq2 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R2 3/5G
Descriptor: IMIDAZOLE, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NR0
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BU of 3nr0 by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R6 6/10A
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-30
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPX
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BU of 3npx by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPU
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BU of 3npu by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NPW
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BU of 3npw by Molmil
In silico designed of an improved Kemp eliminase KE70 mutant by computational design and directed evolution
Descriptor: deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3NQV
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BU of 3nqv by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R5 7/4A
Descriptor: BENZAMIDINE, deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Dym, O, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-06-29
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
3D3M
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BU of 3d3m by Molmil
The Crystal Structure of the C-terminal region of Death Associated Protein 5(DAP5)
Descriptor: Eukaryotic translation initiation factor 4 gamma 2
Authors:Dym, O, Israel Structural Proteomics Center (ISPC)
Deposit date:2008-05-12
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of the C-terminal DAP5/p97 domain sheds light on the molecular basis for its processing by caspase cleavage.
J.Mol.Biol., 383, 2008
6Y2G
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BU of 6y2g by Molmil
Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
Descriptor: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
Deposit date:2020-02-15
Release date:2020-03-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020

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