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3NPH
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BU of 3nph by Molmil
Crystal structure of the pfam00427 domain from Synechocystis sp. PCC 6803
分子名称: Phycobilisome 32.1 kDa linker polypeptide, phycocyanin-associated, rod 2
著者Gao, X, Chen, L, Wu, J.-W, Zhang, Y.-Z.
登録日2010-06-28
公開日2011-06-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Crystal structure of the N-terminal domain of linker L(R) and the assembly of cyanobacterial phycobilisome rods
Mol.Microbiol., 82, 2011
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
分子名称: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-02-03
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
4F1S
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BU of 4f1s by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor
分子名称: N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-05-07
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
分子名称: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-14
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
6KX9
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BU of 6kx9 by Molmil
Crystal structure of 8-mer peptide from avian influenza H5N1 virus in complex with BF2*1501
分子名称: 8-pepide (ARG-ARG-ALA-LEU-ARG-GLU-GLY-TYR), Beta-2-microglobulin, MHC class I
著者Xiao, L, Zhang, L.
登録日2019-09-10
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.902 Å)
主引用文献Structures of the MHC-I molecule BF2*1501 disclose the preferred presentation of an H5N1 virus-derived epitope.
J.Biol.Chem., 295, 2020
8GUG
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BU of 8gug by Molmil
Structure of VPA0770 toxin bound to VPA0769 antitoxin in Vibrio parahaemolyticus
分子名称: DUF2384 domain-containing protein, RES domain-containing protein
著者Song, X.J, Zhang, Y, Xu, Y.Y, Lin, Z.
登録日2022-09-12
公開日2023-07-26
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural insights of the toxin-antitoxin system VPA0770-VPA0769 in Vibrio parahaemolyticus.
Int.J.Biol.Macromol., 242, 2023
2Z59
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BU of 2z59 by Molmil
Complex Structures of Mouse Rpn13 (22-130aa) and ubiquitin
分子名称: Protein ADRM1, Ubiquitin
著者Chen, X, Schreiner, P, Groll, M, Walters, K.J.
登録日2007-07-01
公開日2008-05-20
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Ubiquitin docking at the proteasome through a novel pleckstrin-homology domain interaction.
Nature, 453, 2008
6A2B
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BU of 6a2b by Molmil
Crystal Structure of Xenopus laevis MHC I complex
分子名称: Beta-2-microglobulin, MHC class I antigen, TYR-MET-MET-PRO-ARG-HIS-TRP-PRO-ILE
著者Ma, L.Z, Xia, C.
登録日2018-06-10
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Glimpse of the Peptide Profile Presentation byXenopus laevisMHC Class I: Crystal Structure of pXela-UAA Reveals a Distinct Peptide-Binding Groove.
J Immunol., 204, 2020
6AKW
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BU of 6akw by Molmil
Crystal structure of RNA dioxygenase bound with an inhibitor
分子名称: 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO
著者Yang, C.-G, Huang, Y, Gan, J.
登録日2018-09-04
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
6L6H
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BU of 6l6h by Molmil
Crystal structure of Lpg0189
分子名称: ACETATE ION, GLYCEROL, Uncharacterized protein Lpg0189
著者Ge, H, Chen, X.
登録日2019-10-29
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
6LBE
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BU of 6lbe by Molmil
Crystal structure of bony fish MHC class I binding beta2M-2 for 2.6 angstrom
分子名称: 9-mer peptide from RNA-DIRECTED RNA POLYMERASE L, Beta-2-microglobulin, MHC class I antigen
著者Li, Z.B, Xia, C.
登録日2019-11-14
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
6L6G
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BU of 6l6g by Molmil
Crystal structure of SeMet_Lpg0189
分子名称: GLYCEROL, Uncharacterized protein Lpg0189
著者Ge, H, Chen, X.
登録日2019-10-29
公開日2019-11-27
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of a hypothetical T2SS effector Lpg0189 from Legionella pneumophila reveals a novel protein fold.
Biochem.Biophys.Res.Commun., 521, 2020
2I0N
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BU of 2i0n by Molmil
Structure of Dictyostelium discoideum Myosin VII SH3 domain with adjacent proline rich region
分子名称: Class VII unconventional myosin
著者Wang, Q, Deloia, M.A, Kang, Y, Litchke, C, Titus, M.A, Walters, K.J.
登録日2006-08-10
公開日2007-01-09
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献The SH3 domain of a M7 interacts with its C-terminal proline-rich region.
Protein Sci., 16, 2007
4ZY8
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BU of 4zy8 by Molmil
K. lactis Lst4 longin domain
分子名称: Protein LST4
著者Pacitto, A, Ascher, D.B, Blundell, T.L.
登録日2015-05-21
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Lst4, the yeast Fnip1/2 orthologue, is a DENN-family protein.
Open Biology, 5, 2015
2KBJ
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BU of 2kbj by Molmil
solution structure of BmKalphaTx11 (minor conformation)
分子名称: Toxin Bmka2
著者Zhu, J, Wu, H.
登録日2008-11-28
公開日2009-12-08
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
2KBH
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BU of 2kbh by Molmil
solution structure of BmKalphaTx11 (major conformation)
分子名称: Toxin Bmka2
著者Zhu, J, Wu, H.
登録日2008-11-28
公開日2009-12-08
最終更新日2019-12-11
実験手法SOLUTION NMR
主引用文献Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
5BWA
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BU of 5bwa by Molmil
Crystal structure of ODC-PLP-AZ1 ternary complex
分子名称: Ornithine decarboxylase, Ornithine decarboxylase antizyme 1, PYRIDOXAL-5'-PHOSPHATE
著者Wu, D.H.
登録日2015-06-07
公開日2015-12-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of Ornithine Decarboxylase inactivation and accelerated degradation by polyamine sensor Antizyme1
Sci Rep, 5, 2015
3S2A
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BU of 3s2a by Molmil
Crystal structure of PI3K-gamma in complex with a quinoline inhibitor
分子名称: N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-05-16
公開日2011-06-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
5EB9
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BU of 5eb9 by Molmil
Crystal Structure Of Chicken CD8aa Homodimer
分子名称: CD8 alpha chain
著者Liu, Y.J, Qi, J.X, Xia, C.
登録日2015-10-18
公開日2016-09-14
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献The structural basis of chicken, swine and bovine CD8 alpha alpha dimers provides insight into the co-evolution with MHC I in endotherm species.
Sci Rep, 6, 2016

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