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PDB: 1527 results

4RM5
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Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins
Descriptor: Beta-lactamase NDM-1, ZINC ION
Authors:Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W.
Deposit date:2014-10-19
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
1UO4
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Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: CHLORIDE ION, GENERAL CONTROL PROTEIN GCN4, iodobenzene
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1IDS
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BU of 1ids by Molmil
X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D.
Deposit date:1994-09-29
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
J.Mol.Biol., 246, 1995
4HHE
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BU of 4hhe by Molmil
Quinolinate synthase from Pyrococcus furiosus
Descriptor: CHLORIDE ION, Quinolinate synthase A
Authors:Soriano, E.V, Zhang, Y, Settembre, E.C, Colabroy, K, Sanders, J.M, Dorrestein, P.C, Begley, T.P, Ealick, S.E.
Deposit date:2012-10-09
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.797 Å)
Cite:Active-site models for complexes of quinolinate synthase with substrates and intermediates.
Acta Crystallogr.,Sect.D, 69, 2013
1UNY
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BU of 1uny by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
2KC8
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BU of 2kc8 by Molmil
Structure of E. coli toxin RelE (R81A/R83A) mutant in complex with antitoxin RelBc (K47-L79) peptide
Descriptor: Antitoxin RelB, Toxin relE
Authors:Li, G, Zhang, Y, Inouye, M, Ikura, M.
Deposit date:2008-12-17
Release date:2009-03-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Inhibitory mechanism of Escherichia coli RelE-RelB toxin-antitoxin module involves a helix displacement near an mRNA interferase active site.
J.Biol.Chem., 284, 2009
1UNX
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BU of 1unx by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1UO1
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Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
1SPX
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BU of 1spx by Molmil
Crystal Structure of Glucose Dehydrogenase of Caenorhabditis Elegans in the Apo-Form
Descriptor: short-chain reductase family member (5L265)
Authors:Schormann, N, Zhou, J, McCombs, D, Bray, T, Symersky, J, Huang, W.-Y, Luan, C.-H, Gray, R, Luo, D, Arabashi, A, Bunzel, B, Nagy, L, Lu, S, Li, S, Lin, G, Zhang, Y, Qiu, S, Tsao, J, Luo, M, Carson, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-03-17
Release date:2004-03-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Glucose Dehydrogenase of Caenorhabditis Elegans in the Apo-Form: A Member of the SDR-Family
To be Published
2KC9
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BU of 2kc9 by Molmil
Structure of E. coli toxin RelE (R81A/R83A) mutant in the free state
Descriptor: Toxin relE
Authors:Li, G, Zhang, Y, Inouye, M, Ikura, M.
Deposit date:2008-12-17
Release date:2009-03-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Inhibitory mechanism of Escherichia coli RelE-RelB toxin-antitoxin module involves a helix displacement near an mRNA interferase active site.
J.Biol.Chem., 284, 2009
1UO2
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BU of 1uo2 by Molmil
Structure Based Engineering of Internal Molecular Surfaces Of Four Helix Bundles
Descriptor: GENERAL CONTROL PROTEIN GCN4
Authors:Yadav, M.K, Redman, J.E, Alvarez-Gutierrez, J.M, Zhang, Y, Stout, C.D, Ghadiri, M.R.
Deposit date:2003-09-15
Release date:2004-10-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
3VFE
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BU of 3vfe by Molmil
Virtual Screening and X-Ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group
Descriptor: 4-{[(3R)-3-{[(7-methoxynaphthalen-2-yl)sulfonyl](thiophen-3-ylmethyl)amino}-2-oxopyrrolidin-1-yl]methyl}thiophene-2-carboximidamide, Kallikrein-6
Authors:Chen, X, Zhang, Y, Xia, T, Wang, R.
Deposit date:2012-01-09
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.
Acs Med.Chem.Lett., 3, 2012
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
6IUG
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BU of 6iug by Molmil
Cryo-EM structure of the plant actin filaments from Zea mays pollen
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, pollen F-actin
Authors:Ren, Z.H, Zhang, Y, Zhang, Y, He, Y.Q, Du, P.Z, Wang, Z.X, Sun, F, Ren, H.Y.
Deposit date:2018-11-28
Release date:2019-11-06
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM Structure of Actin Filaments fromZea maysPollen.
Plant Cell, 31, 2019
5EAP
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BU of 5eap by Molmil
Crystal structure of human WDR5 in complex with compound 9e
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
Descriptor: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
5EAR
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BU of 5ear by Molmil
Crystal structure of human WDR5 in complex with compound 9d
Descriptor: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1).
J. Med. Chem., 59, 2016
8H7Q
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BU of 8h7q by Molmil
Cryo-EM structure of Synechocystis sp. PCC6714 Cascade at 3.8 angstrom resolution
Descriptor: CRISPR RNA, CRISPR associated protein Cas11b, CRISPR associated protein Cas5, ...
Authors:Xiao, Y, Lu, M, Yu, C, Zhang, Y.
Deposit date:2022-10-20
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of Synechocystis sp. PCC6714 Cascade at 3.8 angstrom resolution
To Be Published
8HFC
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BU of 8hfc by Molmil
Cryo-EM structure of yeast Erf2/Erf4 complex
Descriptor: PALMITIC ACID, Palmitoyltransferase ERF2, Ras modification protein ERF4, ...
Authors:Wu, J, Hu, Q, Zhang, Y, Yang, A, Liu, S.
Deposit date:2022-11-10
Release date:2023-11-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
8HF3
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BU of 8hf3 by Molmil
Cryo-EM structure of human ZDHHC9/GCP16 complex
Descriptor: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Golgin subfamily A member 7, PALMITIC ACID, ...
Authors:Wu, J, Hu, Q, Zhang, Y, Liu, S, Yang, A.
Deposit date:2022-11-09
Release date:2023-11-22
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
4LKG
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BU of 4lkg by Molmil
The structure of hemagglutinin from a avian-origin H7N9 influenza virus (A/Shanghai/1/2013) in complex with avian receptor analog 3'SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shi, Y, Zhang, W, Wang, F, Qi, J, Song, H, Wu, Y, Gao, F, Zhang, Y, Fan, Z, Gong, W, Wang, D, Shu, Y, Wang, Y, Yan, J, Gao, G.F.
Deposit date:2013-07-07
Release date:2013-11-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:Structures and receptor binding of hemagglutinins from human-infecting H7N9 influenza viruses
Science, 342, 2013
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
Descriptor: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
5EAL
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BU of 5eal by Molmil
Crystal structure of human WDR5 in complex with compound 9h
Descriptor: 1,2-ETHANEDIOL, 3-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-quinolin-3-yl-phenyl]benzamide, CHLORIDE ION, ...
Authors:DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2015-10-16
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human WDR5 in complex with compound 9h
to be published

224004

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