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2MDL
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BU of 2mdl by Molmil
Structure and NMR assignments of Scylla Serrata anti lipopolysaccharide Factor-24 (SsALF-24)
分子名称: Anti-lipopolysaccharide factor
著者Sharma, S, Barnwal, R, Yedery, R, Reddy, K.
登録日2013-09-11
公開日2014-09-17
実験手法SOLUTION NMR
主引用文献NMR assignments of Scylla Serrata anti lipopolysaccharide Factor-24 (SsALF-24)
To be Published
8U5M
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BU of 8u5m by Molmil
Structure of Sts-1 HP domain with rebamipide
分子名称: Rebamipide, Ubiquitin-associated and SH3 domain-containing protein B
著者Azia, F, Dey, R, French, J.B.
登録日2023-09-12
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
8U7E
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BU of 8u7e by Molmil
Structure of Sts-1 HP domain with rebamipide derivative
分子名称: N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B
著者Aziz, F, Dey, R, French, J.B.
登録日2023-09-15
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
3SA0
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BU of 3sa0 by Molmil
Complex of ERK2 with norathyriol
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, norathyriol
著者Kurinov, I, Malakhova, M.
登録日2011-06-02
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5947 Å)
主引用文献Norathyriol Suppresses Skin Cancers Induced by Solar Ultraviolet Radiation by Targeting ERK Kinases.
Cancer Res., 72, 2012
8QHM
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BU of 8qhm by Molmil
DNA mimic Foldamer with sticky ends
分子名称: DNA mimic Foldamer
著者Deepak, D, Loos, M, Huc, I.
登録日2023-09-08
公開日2023-10-11
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Enhancing the Features of DNA Mimic Foldamers for Structural Investigations.
Chemistry, 30, 2024
8QPC
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BU of 8qpc by Molmil
18mer DNA mimic Foldamer with an Aromatic linker in complex with Sac7d V26A/M29A protein
分子名称: DNA-binding protein 7b, N-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-{[5-(trifluoromethyl)pyridin-2-yl]amino}pyridine-4-carboxamide
著者Deepak, D, Corvaglia, V, Wu, J, Huc, I.
登録日2023-10-01
公開日2023-11-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献DNA-Mimic Foldamer Recognition of a Chromosomal Protein
To Be Published
4N0S
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BU of 4n0s by Molmil
Complex of ERK2 with caffeic acid
分子名称: CAFFEIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Kurinov, I, Malakhova, M.
登録日2013-10-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7992 Å)
主引用文献Caffeic Acid Directly Targets ERK1/2 to Attenuate Solar UV-Induced Skin Carcinogenesis.
Cancer Prev Res (Phila), 7, 2014
7TI2
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BU of 7ti2 by Molmil
Structure of KPC-2 bound to RPX-7063 at 1.75A
分子名称: 1,2-ETHANEDIOL, Carbapenem-hydrolyzing beta-lactamase KPC, {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
著者Clifton, M.C, Fairman, J.W, Edwards, T.E, Hecker, S.J.
登録日2022-01-12
公開日2022-10-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
7TI1
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BU of 7ti1 by Molmil
Structure of AmpC bound to RPX-7063 at 2.0A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Clifton, M.C, Abendroth, J, Edwards, T.E, Hecker, S.J.
登録日2022-01-12
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Broad-spectrum cyclic boronate beta-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability.
Bioorg.Med.Chem., 62, 2022
1P3H
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BU of 1p3h by Molmil
Crystal Structure of the Mycobacterium tuberculosis chaperonin 10 tetradecamer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 10 kDa chaperonin, CALCIUM ION
著者Roberts, M.M, Coker, A.R, Fossati, G, Mascagni, P, Coates, A.R.M, Wood, S.P, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-17
公開日2003-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mycobacterium tuberculosis chaperonin 10 heptamers self-associate through their biologically active loops
J.BACTERIOL., 185, 2003
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
分子名称: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Sack, J.S.
登録日2017-04-26
公開日2017-06-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
4HXY
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BU of 4hxy by Molmil
PlmKR1-Ketoreductase from the first module of phoslactomycin biosynthesis in Streptomyces sp. HK803
分子名称: 6-AMINOHEXANOIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Plm1
著者Whicher, J.R, Smith, J.L.
登録日2012-11-12
公開日2013-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Stereochemical Analysis of a Modular Polyketide Synthase Ketoreductase Domain Required for the Generation of a cis-Alkene.
Chem.Biol., 20, 2013

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件を2024-10-16に公開中

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