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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
Descriptor: 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
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: Hydroxy Pioglitazone (M-IV), Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Mosure, S.A, Kojetin, D.J.
Deposit date:2018-05-18
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Cui, Z, Zhang, J.
Deposit date:2020-10-16
Release date:2022-01-19
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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
Descriptor: Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-28
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, 3-O-sulfo-beta-D-galactopyranose-(1-6)-alpha-D-mannopyranose-(1-2)-alpha-D-glucopyranose, Bacteriorhodopsin, ...
Authors:Kouyama, T, Zhang, J.
Deposit date:2011-09-13
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, Liprin-beta-1
Authors:Zhang, J, Chen, S, Wei, Z.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
Authors:Zhang, J, Chen, S, Wei, Z, Yu, C.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zhang, J, Liu, H, Yang, C.-G.
Deposit date:2012-04-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Molybdopterin biosynthesis enzyme, MoaB
Authors: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)
Deposit date:2010-03-29
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.501 Å)
Cite: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
Descriptor: (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ...
Authors:Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M.
Deposit date:2007-06-12
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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)
Descriptor: POTASSIUM ION, Protein Mdm4, pDI peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-23
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: Protein Mdm4, SULFATE ION, pDIQ peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: E3 ubiquitin-protein ligase Mdm2, pDI6W peptide (12mer)
Authors:Schonbrunn, E, Phan, J.
Deposit date:2009-09-24
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily M member 7
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
Deposit date:2018-05-18
Release date:2018-10-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite: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
Descriptor: Exodeoxyribonuclease 8
Authors:Bell, C.E, Zhang, J.
Deposit date:2009-04-20
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-03
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.586 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: ion channel, ion channel,GFP-TwinStrep
Authors:Jiang, D, Zhang, J.
Deposit date:2022-03-05
Release date:2022-06-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite: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
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-27
Release date:2012-09-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: (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, ...
Authors:Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
Deposit date:2022-07-01
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite: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
Descriptor: Cytohesin-2
Authors:Hoh, F, Rouhana, J.
Deposit date:2013-03-14
Release date:2013-10-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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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数据于2024-07-17公开中

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