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4I21
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BU of 4i21 by Molmil
Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide
Descriptor: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
1ENI
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BU of 1eni by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
Descriptor: ENDONUCLEASE V
Authors:Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
Deposit date:1994-08-08
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
4I20
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BU of 4i20 by Molmil
Crystal structure of monomeric (V948R) primary oncogenic mutant L858R EGFR kinase domain
Descriptor: Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
4I24
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BU of 4i24 by Molmil
Structure of T790M EGFR kinase domain co-crystallized with dacomitinib
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide, Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
3A57
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BU of 3a57 by Molmil
Crystal structure of Thermostable Direct Hemolysin
Descriptor: Thermostable direct hemolysin 2
Authors:Hashimoto, H, Yanagihara, I, Nakahira, K, Hamada, D, Ikegami, T, Mayanagi, K, Kaieda, S, Fukui, T, Ohnishi, K, Kajiyama, S, Yamane, T, Ikeguchi, M, Honda, T, Shimizu, T, Sato, M.
Deposit date:2009-08-03
Release date:2010-03-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and functional characterization of Vibrio parahaemolyticus thermostable direct hemolysin
J.Biol.Chem., 285, 2010
6XHO
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BU of 6xho by Molmil
Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.446 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHM
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BU of 6xhm by Molmil
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.406 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHL
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BU of 6xhl by Molmil
Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Descriptor: 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHN
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BU of 6xhn by Molmil
Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
Descriptor: (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase
Authors:Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
Deposit date:2020-06-19
Release date:2020-07-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.377 Å)
Cite:Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
1RGI
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BU of 1rgi by Molmil
Crystal structure of gelsolin domains G1-G3 bound to actin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Burtnick, L.D, Urosev, D, Irobi, E, Narayan, K, Robinson, R.C.
Deposit date:2003-11-12
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the N-terminal half of gelsolin bound to actin: roles in severing, apoptosis and FAF
Embo J., 23, 2004
1DA3
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BU of 1da3 by Molmil
THE CRYSTAL STRUCTURE OF THE TRIGONAL DECAMER C-G-A-T-C-G-6MEA-T-C-G: A B-DNA HELIX WITH 10.6 BASE-PAIRS PER TURN
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*AP*TP*CP*GP*(6MA)P*TP*CP*G)-3'), MAGNESIUM ION
Authors:Baikalov, I, Grzeskowiak, K, Yanagi, K, Quintana, J, Dickerson, R.E.
Deposit date:1992-11-09
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the trigonal decamer C-G-A-T-C-G-6meA-T-C-G: a B-DNA helix with 10.6 base-pairs per turn.
J.Mol.Biol., 231, 1993
5GKG
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BU of 5gkg by Molmil
Structure of EndoMS-dsDNA1'' complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*GP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*GP*TP*GP*TP*AP*GP*CP*G)-3'), ...
Authors:Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T.
Deposit date:2016-07-04
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
5GKJ
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BU of 5gkj by Molmil
Structure of EndoMS in apo form
Descriptor: Endonuclease EndoMS
Authors:Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T.
Deposit date:2016-07-04
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
5GKF
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BU of 5gkf by Molmil
Structure of EndoMS-dsDNA1' complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*TP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*TP*TP*GP*TP*AP*GP*CP*G)-3'), ...
Authors:Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T.
Deposit date:2016-07-04
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
7Y8Q
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BU of 7y8q by Molmil
Amyloid-beta assemblage on GM1-containing membranes
Descriptor: Amyloid-beta protein 40
Authors:Yagi-Utsumi, M, Itoh, S.G, Okumura, H, Yanagisawa, K, Kato, K, Nishimura, K.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:The Double-Layered Structure of Amyloid-beta Assemblage on GM1-Containing Membranes Catalytically Promotes Fibrillization.
Acs Chem Neurosci, 14, 2023
5GKE
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BU of 5gke by Molmil
Structure of EndoMS-dsDNA1 complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*CP*GP*CP*TP*AP*CP*AP*TP*GP*TP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*CP*GP*TP*GP*TP*AP*GP*CP*G)-3'), ...
Authors:Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T.
Deposit date:2016-07-04
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
5GKH
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BU of 5gkh by Molmil
Structure of EndoMS-dsDNA2 complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*CP*GP*GP*CP*AP*CP*TP*TP*GP*GP*CP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*GP*CP*CP*AP*GP*GP*TP*GP*CP*CP*GP*T)-3'), ...
Authors:Nakae, S, Hijikata, A, Tsuji, T, Yonezawa, K, Kouyama, K, Mayanagi, K, Ishino, S, Ishino, Y, Shirai, T.
Deposit date:2016-07-04
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the EndoMS-DNA Complex as Mismatch Restriction Endonuclease
Structure, 24, 2016
3VLG
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BU of 3vlg by Molmil
Crystal structure of the W150A mutant LOX-1 CTLD showing impaired OxLDL binding
Descriptor: Oxidized low-density lipoprotein receptor 1
Authors:Nakano, S, Sugihara, M, Yamada, R, Katayanagi, K, Tate, S.
Deposit date:2011-12-01
Release date:2012-04-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural implication for the impaired binding of W150A mutant LOX-1 to oxidized low density lipoprotein, OxLDL
Biochim.Biophys.Acta, 1824, 2012
3VLX
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BU of 3vlx by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - ligand free form from tobacco leaf
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-12-05
Release date:2012-09-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
2END
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BU of 2end by Molmil
CRYSTAL STRUCTURE OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME FROM BACTERIOPHAGE T4: REFINEMENT AT 1.45 ANGSTROMS AND X-RAY ANALYSIS OF THE THREE ACTIVE SITE MUTANTS
Descriptor: ENDONUCLEASE V
Authors:Vassylyev, D.G, Ariyoshi, M, Matsumoto, O, Katayanagi, K, Ohtsuka, E, Morikawa, K.
Deposit date:1994-08-08
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a pyrimidine dimer-specific excision repair enzyme from bacteriophage T4: refinement at 1.45 A and X-ray analysis of the three active site mutants.
J.Mol.Biol., 249, 1995
3VKR
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BU of 3vkr by Molmil
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with high X-ray dose
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-11-20
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3VLZ
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BU of 3vlz by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 full complex from tobacco leaf
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-12-05
Release date:2012-09-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012
3VKQ
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BU of 3vkq by Molmil
Assimilatory nitrite reductase (Nii3) - NO2 complex from tobbaco leaf analysed with middle X-ray dose
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRITE ION, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-11-20
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3VKS
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BU of 3vks by Molmil
Assimilatory nitrite reductase (Nii3) - NO complex from tobbaco leaf
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, NITRIC OXIDE, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-11-20
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The reductive reaction mechanism of tobacco nitrite reductase derived from a combination of crystal structures and ultraviolet-visible microspectroscopy
Proteins, 80, 2012
3VLY
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BU of 3vly by Molmil
Assimilatory nitrite reductase (Nii3) - N226K mutant - SO3 partial complex from tobacco leaf
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, Nitrite reductase, ...
Authors:Nakano, S, Takahashi, M, Sakamoto, A, Morikawa, H, Katayanagi, K.
Deposit date:2011-12-05
Release date:2012-09-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray crystal structure of a mutant assimilatory nitrite reductase that shows sulfite reductase-like activity
Chem.Biodivers., 9, 2012

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