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7EIC
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BU of 7eic by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K5acK8ac peptide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Histone H4, ...
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EID
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BU of 7eid by Molmil
Crystal structure of AF9 YEATS domain in complex with H4K8acK12ac peptide
Descriptor: GLYCEROL, Histone H4, Protein AF-9
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7EIE
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BU of 7eie by Molmil
Crystal structure of YEATS2 YEATS domain
Descriptor: GLYCEROL, YEATS domain-containing protein 2
Authors:Kikuchi, M, Umehara, T.
Deposit date:2021-03-30
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Elucidation of binding preferences of YEATS domains to site-specific acetylated nucleosome core particles.
J.Biol.Chem., 298, 2022
7CSS
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BU of 7css by Molmil
Solution structure of the topological isomer of Heat-stable enterotoxin produced by Enterotoxigenic Escherichia coli
Descriptor: CYS-CYS-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CYS-THR-GLY-CYS
Authors:Shimamoto, S, Hidaka, Y.
Deposit date:2020-08-17
Release date:2020-12-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Topological Regulation of the Bioactive Conformation of a Disulfide-Rich Peptide, Heat-Stable Enterotoxin.
Molecules, 25, 2020
7D37
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BU of 7d37 by Molmil
Solution structure of Acm2-precursor peptide of Heat-stable enterotoxin produced by Enterotoxigenic Escherichia coli
Descriptor: CYS-CY1-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CY1-THR-GLY-CYS
Authors:Shimamoto, S, Hidaka, Y.
Deposit date:2020-09-18
Release date:2020-12-16
Method:SOLUTION NMR
Cite:Topological Regulation of the Bioactive Conformation of a Disulfide-Rich Peptide, Heat-Stable Enterotoxin.
Molecules, 25, 2020
1KA9
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BU of 1ka9 by Molmil
Imidazole Glycerol Phosphate Synthase
Descriptor: imidazole glycerol phosphate synthase
Authors:Omi, R, Miyahara, I, Hirotsu, K, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2001-11-01
Release date:2002-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of imidazole glycerol phosphate synthase from Thermus thermophilus HB8: open-closed conformational change and ammonia tunneling.
J.Biochem., 132, 2002
1Y37
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BU of 1y37 by Molmil
Structure of Fluoroacetate Dehalogenase from Burkholderia sp. FA1
Descriptor: Fluoroacetate Dehalogenase, MAGNESIUM ION
Authors:Omi, R.
Deposit date:2004-11-23
Release date:2006-02-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Fluoroacetate Dehalogenase FA1
To be Published
7Y1G
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BU of 7y1g by Molmil
Crystal structure of human PRKACA complexed with DS01080522
Descriptor: 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Suzuki, M, Ubukata, O, Toyoda, A.
Deposit date:2022-06-08
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
6IYQ
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BU of 6iyq by Molmil
Crystal structure of a DNA duplex cross-linked by 6-thioguanine-6-thioguanine disulfides
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*(S6G)P*(S6G)P*(BRU)P*CP*GP*CP*G)-3')
Authors:Kondo, J, Ono, A, Atsugi, T.
Deposit date:2018-12-17
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of a DNA duplex cross-linked by 6-thioguanine-6-thioguanine disulfides: reversible formation and cleavage catalyzed by Cu(II) ion and glutathione
Rsc Adv, 2019
5X9O
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BU of 5x9o by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1a
Descriptor: 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ...
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-03-08
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
5WJJ
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BU of 5wjj by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
Descriptor: Mitogen-activated protein kinase 14, N-{4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl}-2-methyl-1-oxo-1lambda~5~-pyridine-4-carboxamide
Authors:Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
Deposit date:2017-07-23
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
5X9P
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BU of 5x9p by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 5
Descriptor: 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein
Authors:Sogabe, S, Ida, K, Lane, W, Snell, G.
Deposit date:2017-03-08
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
5Y6Q
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BU of 5y6q by Molmil
Crystal structure of an aldehyde oxidase from Methylobacillus sp. KY4400
Descriptor: Aldehyde oxidase large subunit, Aldehyde oxidase medium subunit, Aldehyde oxidase small subunit, ...
Authors:Mikami, B, Uchida, H.
Deposit date:2017-08-13
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an aldehyde oxidase from Methylobacillus sp. KY4400.
J. Biochem., 163, 2018
2YXO
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BU of 2yxo by Molmil
Histidinol Phosphate Phosphatase complexed with Sulfate
Descriptor: FE (III) ION, GLYCEROL, Histidinol phosphatase, ...
Authors:Omi, R.
Deposit date:2007-04-26
Release date:2007-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8.
Biochemistry, 46, 2007
2YZ5
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BU of 2yz5 by Molmil
Histidinol Phosphate Phosphatase complexed with Phosphate
Descriptor: FE (III) ION, GLYCEROL, Histidinol phosphatase, ...
Authors:Omi, R.
Deposit date:2007-05-03
Release date:2007-11-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8.
Biochemistry, 46, 2007
5Y9L
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BU of 5y9l by Molmil
Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
Descriptor: 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-08-25
Release date:2017-11-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
1V7C
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BU of 1v7c by Molmil
Crystal structure of threonine synthase from thermus thermophilus hb8 in complex with a substrate analogue
Descriptor: (2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID, THREONINE SYNTHASE
Authors:Omi, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-12-16
Release date:2003-12-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of threonine synthase from Thermus thermophilus HB8: conformational change, substrate recognition, and mechanism.
J.Biol.Chem., 278, 2003
1VE4
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BU of 1ve4 by Molmil
ATP-Phosphoribosyltransferase(hisG) from Thermus thermophilus HB8
Descriptor: ATP phosphoribosyltransferase, GLYCEROL, SULFATE ION
Authors:Omi, R, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-27
Release date:2005-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of ATP-phosphoribosyltransferase(HisG)
To be Published
5YJK
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BU of 5yjk by Molmil
Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative
Descriptor: (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-10-11
Release date:2017-12-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
1VB3
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BU of 1vb3 by Molmil
Crystal Structure of Threonine Synthase from Escherichia coli
Descriptor: 2-OXO-5-PHOSPHONOPENTANOIC ACID, SULFATE ION, Threonine synthase
Authors:Omi, R.
Deposit date:2004-02-21
Release date:2005-06-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Threonine Synthase from Escherichia coli
To be Published
2Z4G
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BU of 2z4g by Molmil
Histidinol Phosphate Phosphatase from Thermus thermophilus HB8
Descriptor: FE (III) ION, GLYCEROL, Histidinol phosphatase, ...
Authors:Omi, R.
Deposit date:2007-06-17
Release date:2007-11-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Monofunctional Histidinol Phosphate Phosphatase from Thermus thermophilus HB8.
Biochemistry, 46, 2007
3A9Z
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BU of 3a9z by Molmil
Crystal structure of ras selenocysteine lyase in complex with selenopropionate
Descriptor: 3-selanylpropanoic acid, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Omi, R, Hirotsu, K.
Deposit date:2009-11-09
Release date:2010-03-16
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
J.Biol.Chem., 285, 2010
3A9Y
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BU of 3a9y by Molmil
Crystal structure of rat selenocysteine lyase in complex with L-cysteine
Descriptor: CYSTEINE, GLYCEROL, PHOSPHATE ION, ...
Authors:Omi, R, Hirotsu, K.
Deposit date:2009-11-09
Release date:2010-03-16
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
J.Biol.Chem., 285, 2010
3A9X
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BU of 3a9x by Molmil
Crystal structure of rat selenocysteine lyase
Descriptor: PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, Selenocysteine lyase
Authors:Omi, R, Hirotsu, K.
Deposit date:2009-11-08
Release date:2010-03-16
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction mechanism and molecular basis for selenium/sulfur discrimination of selenocysteine lyase.
J.Biol.Chem., 285, 2010
6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
Descriptor: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
Authors:Lane, W, Saikatendu, K.
Deposit date:2019-04-05
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019

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數據於2024-11-13公開中

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