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4TXT
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BU of 4txt by Molmil
Crystal Structure of a GH48 cellobiohydrolase from Caldicellulosiruptor bescii
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside hydrolase family 48, ...
著者An, J, Feng, Y.
登録日2014-07-07
公開日2014-08-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallization and preliminary X-ray analysis of a processive cellobiohydrolase CbCBH48A from Caldicellulosiruptor bescii
To Be Published
5UUT
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BU of 5uut by Molmil
N-myristoyltransferase 1 (NMT) bound to myristoyl-CoA
分子名称: CITRIC ACID, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA
著者Goodwin, O, Pegan, S.
登録日2017-02-17
公開日2018-01-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Blocking Myristoylation of Src Inhibits Its Kinase Activity and Suppresses Prostate Cancer Progression.
Cancer Res., 77, 2017
2XS3
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BU of 2xs3 by Molmil
Structure of karilysin catalytic MMP domain
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, KARILYSIN PROTEASE, PEPTIDE ALA-PHE-THR-SER, ...
著者Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
登録日2010-09-24
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
2XS4
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BU of 2xs4 by Molmil
Structure of karilysin catalytic MMP domain in complex with magnesium
分子名称: CHLORIDE ION, KARILYSIN PROTEASE, MAGNESIUM ION, ...
著者Cerda-Costa, N, Guevara, T, Karim, A.Y, Ksiazek, M, Nguyen, K.-A, Arolas, J.L, Potempa, J, Gomis-Ruth, F.X.
登録日2010-09-24
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
Mol.Microbiol., 79, 2011
8BSL
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BU of 8bsl by Molmil
Human GLS in complex with compound 12
分子名称: Glutaminase kidney isoform, mitochondrial, ~{N}-[5-[[(3~{R})-1-(5-azanyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSK
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Human GLS in complex with compound 3
分子名称: Glutaminase kidney isoform, mitochondrial 65 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSM
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BU of 8bsm by Molmil
Human GLS in complex with compound 18
分子名称: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.782 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
8BSN
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Human GLS in complex with compound 27
分子名称: (2~{S})-2-methoxy-2-phenyl-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial 65 kDa chain, ...
著者Debreczeni, J.E.
登録日2022-11-25
公開日2023-01-18
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.
J Med Chem, 62, 2019
5MM8
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BU of 5mm8 by Molmil
Atomic resolution structure of SplE protease from Staphylococcus aureus
分子名称: ACETATE ION, Serine protease SplE
著者Stach, N, Zdzalik, M, Dubin, G.
登録日2016-12-08
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unique Substrate Specificity of SplE Serine Protease from Staphylococcus aureus.
Structure, 26, 2018
6GY9
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BU of 6gy9 by Molmil
Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein
分子名称: 1,2-ETHANEDIOL, 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside, Capsid protein
著者Ruoff, K, Kilic, T, Hansman, G.S.
登録日2018-06-28
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein.
Biomacromolecules, 19, 2018
6T7J
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BU of 6t7j by Molmil
As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase
分子名称: (R,R)-2,3-BUTANEDIOL, Broken Fe4S4 cluster, CITRIC ACID, ...
著者Dobbek, H, Jeoung, J.-H.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献The two CO-dehydrogenases of Thermococcus sp. AM4.
Biochim Biophys Acta Bioenerg, 1861, 2020
8JNA
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BU of 8jna by Molmil
CRAF ras-binding domain chimera, apo form
分子名称: RAF proto-oncogene serine/threonine-protein kinase, CRaf
著者Kawamura, T, Kumasaka, T.
登録日2023-06-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JNB
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BU of 8jnb by Molmil
CRAF ras-binding domain chimera, ligand complex
分子名称: 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf
著者Kawamura, T, Kumasaka, T.
登録日2023-06-06
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JOG
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BU of 8jog by Molmil
solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator.
分子名称: RAF proto-oncogene serine/threonine-protein kinase
著者Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F.
登録日2023-06-07
公開日2024-06-12
実験手法SOLUTION NMR
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JOF
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BU of 8jof by Molmil
solution-structure of Ras Binding Domain (RBD) in C-RAF
分子名称: RAF proto-oncogene serine/threonine-protein kinase
著者Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F.
登録日2023-06-07
公開日2024-06-12
実験手法SOLUTION NMR
主引用文献Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
6RPX
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BU of 6rpx by Molmil
Cytokine receptor-like factor 3 C-terminus residues 174-442: native
分子名称: Cytokine receptor-like factor 3
著者Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J.
登録日2019-05-15
公開日2020-03-25
最終更新日2022-10-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia.
Blood, 139, 2022
6RPZ
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BU of 6rpz by Molmil
Cytokine receptor-like factor 3 C-terminus residues 174-442: native collected with 1.7A wavelength
分子名称: Cytokine receptor-like factor 3
著者Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J.
登録日2019-05-15
公開日2020-03-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia.
Blood, 139, 2022
6RPY
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BU of 6rpy by Molmil
Cytokine receptor-like factor 3 C-terminus residues 174-442: Hg-SAD derivative
分子名称: Cytokine receptor-like factor 3, MERCURY (II) ION
著者Mifsud, R.W, Yan, Y, Bennett, C, Read, R.J.
登録日2019-05-15
公開日2020-03-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献CRLF3 plays a key role in the final stage of platelet genesis and is a potential therapeutic target for thrombocythemia.
Blood, 139, 2022
7JVO
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BU of 7jvo by Molmil
Importin alpha bound to the C-terminus of ACE2
分子名称: ARG-LYS-LYS-LYS-ASN-LYS-ALA, Importin subunit alpha-1
著者Forwood, J.K, Cross, E.M, Tsimbalyuk, S.
登録日2020-08-22
公開日2020-10-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting novel LSD1-dependent ACE2 demethylation domains inhibits SARS-CoV-2 replication.
Cell Discov, 7, 2021
2P2C
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BU of 2p2c by Molmil
Inhibition of caspase-2 by a designed ankyrin repeat protein (DARPin)
分子名称: Caspase-2
著者Roschitzki Voser, H, Briand, C, Capitani, G, Gruetter, M.G.
登録日2007-03-07
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Inhibition of Caspase-2 by a Designed Ankyrin Repeat Protein: Specificity, Structure, and Inhibition Mechanism.
Structure, 15, 2007
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