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8GXD
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BU of 8gxd by Molmil
L-LEUCINE DEHYDROGENASE FROM EXIGUOBACTERIUM SIBIRICUM
分子名称: CALCIUM ION, GLYCEROL, Glu/Leu/Phe/Val dehydrogenase
著者Mu, X, Nie, Y, Wu, T, Wang, Y, Zhang, N, Yin, D, Xu, Y.
登録日2022-09-19
公開日2023-04-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Reshaping Substrate-Binding Pocket of Leucine Dehydrogenase for Bidirectionally Accessing Structurally Diverse Substrates
Acs Catalysis, 13, 2023
7CPO
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BU of 7cpo by Molmil
Crystal Structure of Anolis carolinensis MHC I complex
分子名称: HIS-VAL-TYR-GLY-PRO-LEU-LYS-PRO-ILE, MHC CLASS I ANTIGEN, beta2-microglobulin
著者Wang, Y, Qu, Z, Ma, L, Wei, X, Zhang, N, Xia, C.
登録日2020-08-07
公開日2021-01-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Crystal Structure of the MHC Class I (MHC-I) Molecule in the Green Anole Lizard Demonstrates the Unique MHC-I System in Reptiles.
J Immunol., 206, 2021
7DMC
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BU of 7dmc by Molmil
Dipyridamole binds to the N-terminal domain of human Hsp90A
分子名称: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ...
著者Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N.
登録日2020-12-03
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
7DME
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BU of 7dme by Molmil
Solution structure of human Aha1
分子名称: Activator of 90 kDa heat shock protein ATPase homolog 1
著者Hu, H, Zhou, C, Zhang, N.
登録日2020-12-03
公開日2021-04-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
7DMD
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BU of 7dmd by Molmil
Solution structure of human Aha1 N-terminal domain
分子名称: Activator of 90 kDa heat shock protein ATPase homolog 1
著者Hu, H, Zhou, C, Zhang, N.
登録日2020-12-03
公開日2021-04-21
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Aha1 Exhibits Distinctive Dynamics Behavior and Chaperone-Like Activity.
Molecules, 26, 2021
7DO1
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BU of 7do1 by Molmil
Solution structure of a heteromolecular telomeric (3+1) G-quadruplex containing right loop progression
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*G)-3')
著者Fu, W.Q, Jing, H.T, Zhang, N.
登録日2020-12-11
公開日2021-09-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Two coexisting pseudo-mirror heteromolecular telomeric G-quadruplexes in opposite loop progressions differentially recognized by a low equivalent of Thioflavin T.
Nucleic Acids Res., 49, 2021
7EXA
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BU of 7exa by Molmil
Structure of mumps virus nucleoprotein without C-arm
分子名称: Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
著者Shen, Q, Shan, H, Zhang, N, Qin, Y.
登録日2021-05-26
公開日2024-08-21
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural plasticity of mumps virus nucleocapsids with cryo-EM structures.
Commun Biol, 4, 2021
3MJW
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BU of 3mjw by Molmil
PI3 Kinase gamma with a benzofuranone inhibitor
分子名称: (2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Bard, J, Svenson, K.
登録日2010-04-13
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献5-Ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.
Bioorg.Med.Chem.Lett., 20, 2010
7W0X
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BU of 7w0x by Molmil
Tetrameric antiparallel G-quadruplex formed by natural human telomeric sequence
分子名称: DNA (5'-D(*GP*GP*GP*TP*TP*A)-3')
著者Jing, H.T, Fu, W.Q.
登録日2021-11-18
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of an alternating antiparallel tetrameric G-quadruplex assembled by the single-repeat of human telomeric DNA d(GGGTTA)
To Be Published
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
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2024-10-16
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2024-10-09
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2024-10-30
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
6KWK
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BU of 6kwk by Molmil
Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY
分子名称: Beta-2-microglobulin, MHC class I antigen, peptide
著者Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
登録日2019-09-07
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Peptidomes and Structures Illustrate Two Distinguishing Mechanisms of Alternating the Peptide Plasticity Caused by Swine MHC Class I Micropolymorphism.
Front Immunol, 12, 2021
6LF8
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BU of 6lf8 by Molmil
Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW
分子名称: ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen
著者Wei, X.H, Wang, S, Zhang, N.Z, Xia, C.
登録日2019-11-30
公開日2021-03-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
分子名称: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-04-13
公開日2018-05-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
4ZLK
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BU of 4zlk by Molmil
Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin
分子名称: CALCIUM ION, Calmodulin, Unconventional myosin-Va
著者Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D.
登録日2015-05-01
公開日2016-05-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structural basis for calcium regulation of myosin 5 motor function
To Be Published
2AST
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BU of 2ast by Molmil
Crystal structure of Skp1-Skp2-Cks1 in complex with a p27 peptide
分子名称: BENZAMIDINE, Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, ...
著者Hao, B, Zhang, N, Schulman, B.A, Wu, G, Pagano, M, Pavletich, N.P.
登録日2005-08-24
公開日2005-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Cks1-Dependent Recognition of p27(Kip1) by the SCF(Skp2) Ubiquitin Ligase.
Mol.Cell, 20, 2005
4RBX
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BU of 4rbx by Molmil
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
分子名称: Defensin-5, SULFATE ION
著者Pazgier, M, Gohain, N, Tolbert, W.D.
登録日2014-09-13
公開日2015-07-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015

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