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6DAS
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BU of 6das by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DAK
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BU of 6dak by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DHA
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BU of 6dha by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV)
分子名称: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
著者Shang, J, Mosure, S.A, Kojetin, D.J.
登録日2018-05-18
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPAR gamma Drug Pioglitazone.
J. Med. Chem., 62, 2019
7KGB
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BU of 7kgb by Molmil
CryoEM structure of A2296-methylated Mycobacterium tuberculosis ribosome bound with SEQ-9
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cui, Z, Zhang, J.
登録日2020-10-16
公開日2022-01-19
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 2023
7CWE
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BU of 7cwe by Molmil
Human Fructose-1,6-bisphosphatase 1 in APO R-state
分子名称: Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2020-08-28
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human Fructose-1,6-bisphosphatase 1 in APO R-state
To Be Published
3VI0
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BU of 3vi0 by Molmil
Crystal structure of the O intermediate of the L93A mutant of bacteriorhodopsin
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, Bacteriorhodopsin, ...
著者Kouyama, T, Zhang, J.
登録日2011-09-13
公開日2012-06-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the O intermediate of the Leu93Ala mutant of bacteriorhodopsin
Proteins, 80, 2012
8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
分子名称: CALCIUM ION, Liprin-beta-1
著者Zhang, J, Chen, S, Wei, Z.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
分子名称: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
著者Zhang, J, Chen, S, Wei, Z, Yu, C.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zhang, J, Liu, H, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
3MCH
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BU of 3mch by Molmil
Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus theromophilus HB8
分子名称: 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB
著者Jeyakanthan, J, Kanaujia, S.P, Sekar, K, Baba, S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-03-29
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structures, dynamics and functional implications of molybdenum-cofactor biosynthesis protein MogA from two thermophilic organisms
Acta Crystallogr.,Sect.F, 67, 2011
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
分子名称: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-04
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
2V35
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BU of 2v35 by Molmil
Porcine Pancreatic Elastase in complex with inhibitor JM54
分子名称: (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ...
著者Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M.
登録日2007-06-12
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion.
Org.Biomol.Chem., 5, 2007
3JZS
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BU of 3jzs by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZP
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BU of 3jzp by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZO
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BU of 3jzo by Molmil
Human MDMX liganded with a 12mer peptide (pDI)
分子名称: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-23
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZQ
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BU of 3jzq by Molmil
Human MDMX liganded with a 12mer peptide inhibitor (pDIQ)
分子名称: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
3JZR
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BU of 3jzr by Molmil
Human MDM2 liganded with a 12mer peptide inhibitor (pDI6W)
分子名称: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
著者Schonbrunn, E, Phan, J.
登録日2009-09-24
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
5ZX5
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BU of 5zx5 by Molmil
3.3 angstrom structure of mouse TRPM7 with EDTA
分子名称: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7
著者Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
登録日2018-05-18
公開日2018-10-17
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3H4R
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BU of 3h4r by Molmil
Crystal structure of E. coli RecE exonuclease
分子名称: Exodeoxyribonuclease 8
著者Bell, C.E, Zhang, J.
登録日2009-04-20
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of E. coli RecE protein reveals a toroidal tetramer for processing double-stranded DNA breaks.
Structure, 17, 2009
4L1B
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BU of 4l1b by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-03
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.586 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4L2Y
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BU of 4l2y by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d
分子名称: 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
著者Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
登録日2013-06-05
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
7X5V
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BU of 7x5v by Molmil
NaVEh Sodium channel, and NaVEh from the coccolithophore Emiliania huxleyi
分子名称: ion channel, ion channel,GFP-TwinStrep
著者Jiang, D, Zhang, J.
登録日2022-03-05
公開日2022-06-01
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献N-type fast inactivation of a eukaryotic voltage-gated sodium channel.
Nat Commun, 13, 2022
4GSB
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BU of 4gsb by Molmil
Monoclinic crystal form of the apo-ERK2
分子名称: GLYCEROL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Pozharski, E, Zhang, J, Shapiro, P.
登録日2012-08-27
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Monoclinic crystal form of the apo-ERK2
TO BE PUBLISHED
7YCA
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BU of 7yca by Molmil
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
登録日2022-07-01
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
4JMI
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BU of 4jmi by Molmil
Sec7 domain of ARNO, an exchange factor, at 1.5 Angstrom resolution
分子名称: Cytohesin-2
著者Hoh, F, Rouhana, J.
登録日2013-03-14
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors
J.Med.Chem., 56, 2013

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