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1IY8
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BU of 1iy8 by Molmil
Crystal Structure of Levodione Reductase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Sogabe, S, Fukami, T, Shiratori, Y, Yoshizumi, A, Wada, M.
Deposit date:2002-07-25
Release date:2003-05-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13
J.BIOL.CHEM., 278, 2003
1IYK
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BU of 1iyk by Molmil
Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor
Descriptor: MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, TETRADECANOYL-COA, [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
1IYL
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BU of 1iyl by Molmil
Crystal Structure of Candida albicans N-myristoyltransferase with Non-peptidic Inhibitor
Descriptor: (1-METHYL-1H-IMIDAZOL-2-YL)-(3-METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-AMINO]-PROPOXY}-BENZOFURAN-2-YL)-METHANONE, Myristoyl-CoA:Protein N-Myristoyltransferase
Authors:Sogabe, S, Fukami, T.A, Morikami, K, Shiratori, Y, Aoki, Y, D'Arcy, A, Winkler, F.K, Banner, D.W, Ohtsuka, T.
Deposit date:2002-08-29
Release date:2002-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of Candida albicans N-Myristoyltransferase with Two Distinct Inhibitors
CHEM.BIOL., 9, 2002
3W2S
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BU of 3w2s by Molmil
EGFR kinase domain with compound4
Descriptor: 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor, SULFATE ION
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2O
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BU of 3w2o by Molmil
EGFR Kinase domain T790M/L858R Mutant with TAK-285
Descriptor: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2R
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BU of 3w2r by Molmil
EGFR Kinase domain T790M/L858R mutant with compound 4
Descriptor: 1,2-ETHANEDIOL, 1-{3-[2-chloro-4-({5-[2-(2-hydroxyethoxy)ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]phenyl}-3-cyclohexylurea, Epidermal growth factor receptor
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2P
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BU of 3w2p by Molmil
EGFR Kinase domain T790M/L858R mutant with compound 2
Descriptor: Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)butanamide
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
3W2Q
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BU of 3w2q by Molmil
EGFR kinase domain T790M/L858R mutant with HKI-272
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
Authors:Sogabe, S, Kawakita, Y, Igaki, S.
Deposit date:2012-12-03
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.
Acs Med.Chem.Lett., 4, 2013
5XCO
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BU of 5xco by Molmil
Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2017-03-23
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
5X54
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BU of 5x54 by Molmil
Crystal structure of the Keap1 Kelch domain in complex with a tetrapeptide
Descriptor: ACE-GLU-TRP-TRP-TRP, ACETATE ION, Kelch-like ECH-associated protein 1
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2017-02-14
Release date:2017-03-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a Kelch-like ECH-associated protein 1-inhibitory tetrapeptide and its structural characterization
Biochem. Biophys. Res. Commun., 486, 2017
4PF3
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BU of 4pf3 by Molmil
Mineralocorticoid receptor ligand-binding domain with compuond 37a
Descriptor: 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor
Authors:Sogabe, S, Habuka, N.
Deposit date:2014-04-28
Release date:2014-11-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
1CO6
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BU of 1co6 by Molmil
CRYSTAL STRUCTURE OF FERROCYTOCHROME C2 FROM RHODOPSEUDOMONAS VIRIDIS
Descriptor: HEME C, PROTEIN (CYTOCHROME C2)
Authors:Miki, K, Sogabe, S.
Deposit date:1999-06-05
Release date:1999-06-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Refined crystal structure of ferrocytochrome c2 from Rhodopseudomonas viridis at 1.6 A resolution.
J.Mol.Biol., 252, 1995
2ZDT
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BU of 2zdt by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
7DBJ
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BU of 7dbj by Molmil
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
1IO3
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BU of 1io3 by Molmil
CRYSTAL STRUCTURE OF FERRICYTOCHROME C2 FROM RHODOPSEUDOMONAS VIRIDIS
Descriptor: CYTOCHROME C2, HEME C
Authors:Miki, K, Sogabe, S.
Deposit date:2001-01-06
Release date:2001-04-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the oxidized cytochrome c(2) from Blastochloris viridis.
FEBS Lett., 491, 2001
2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008
7F3O
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BU of 7f3o by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-653
Descriptor: 7-(4-cyclohexyloxyphenyl)-9-methyl-4$l^{6}-thia-1$l^{4},5,8-triazabicyclo[4.4.0]deca-1(10),6,8-triene 4,4-dioxide, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2021-06-16
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Strictly regulated agonist-dependent activation of AMPA-R is the key characteristic of TAK-653 for robust synaptic responses and cognitive improvement.
Sci Rep, 11, 2021
5H5Q
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BU of 5h5q by Molmil
Crystal structure of human GPX4 in complex with GXpep-1
Descriptor: GLYCEROL, GXpep-1, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H7H
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BU of 5h7h by Molmil
Crystal structure of the BCL6 BTB domain in complex with F1324(10-13)
Descriptor: 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, F1324 peptide residues 10-13
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2016-11-18
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
5H7G
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BU of 5h7g by Molmil
Crystal structure of the BCL6 BTB domain in complex with F1324
Descriptor: B-cell lymphoma 6 protein, F1324 peptide, SULFATE ION
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2016-11-18
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of high-affinity BCL6-binding peptide and its structure-activity relationship.
Biochem. Biophys. Res. Commun., 482, 2017
5H5S
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BU of 5h5s by Molmil
Crystal structure of human GPX4 in complex with GXpep-3
Descriptor: GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
5H5R
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BU of 5h5r by Molmil
Crystal structure of human GPX4 in complex with GXpep-2
Descriptor: GLYCEROL, GXpep-2, Phospholipid hydroperoxide glutathione peroxidase, ...
Authors:Sogabe, S, Kadotani, A, Lane, W, Snell, G.
Deposit date:2016-11-09
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
1JRH
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BU of 1jrh by Molmil
COMPLEX (ANTIBODY/ANTIGEN)
Descriptor: ANTIBODY A6, INTERFERON-GAMMA RECEPTOR ALPHA CHAIN
Authors:Winkler, F.K, Sogabe, S.
Deposit date:1997-09-23
Release date:1998-03-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Neutralizing epitopes on the extracellular interferon gamma receptor (IFNgammaR) alpha-chain characterized by homolog scanning mutagenesis and X-ray crystal structure of the A6 fab-IFNgammaR1-108 complex.
J.Mol.Biol., 273, 1997
3WFF
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BU of 3wff by Molmil
Mineralocorticoid receptor ligand-binding domain with compound 2b
Descriptor: 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor, PHOSPHATE ION
Authors:Sogabe, S, Habuka, N.
Deposit date:2013-07-19
Release date:2013-08-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013

 

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