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3R01
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BU of 3r01 by Molmil
The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors
Descriptor: 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3VBT
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BU of 3vbt by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 4-chloro-2-(1H-pyrazol-3-yl)phenol, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBV
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BU of 3vbv by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 8-hydroxyquinoline-2-carboxamide, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBY
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BU of 3vby by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: IMIDAZOLE, Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBW
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BU of 3vbw by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBX
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BU of 3vbx by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: 6-bromo-4-hydroxy-2H-chromen-2-one, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VC4
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BU of 3vc4 by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione, IMIDAZOLE, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
5X56
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BU of 5x56 by Molmil
Crystal structure of PSB27 from Arabidopsis thaliana
Descriptor: Photosystem II repair protein PSB27-H1, chloroplastic
Authors:Liu, J, Cheng, X.
Deposit date:2017-02-15
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom.
Photosyn. Res., 136, 2018
6IR8
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BU of 6ir8 by Molmil
Rice WRKY/DNA complex
Descriptor: DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ...
Authors:Liu, J, Cheng, X, Wang, D.
Deposit date:2018-11-12
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain.
Nucleic Acids Res., 47, 2019
2NRN
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BU of 2nrn by Molmil
Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant
Descriptor: General control protein GCN4, PHOSPHATE ION
Authors:Liu, J, Lu, M.
Deposit date:2006-11-02
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Self-assembly of coiled-coil tetramers in the 1.40 A structure of a leucine-zipper mutant.
Protein Sci., 16, 2007
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Descriptor: PHOSPHATE ION, Papain-like protease, ZINC ION
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
4USG
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BU of 4usg by Molmil
Crystal structure of PC4 W89Y mutant complex with DNA
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP *TP*TP*TP*TP*TP*G)-3', ACTIVATED RNA POLYMERASE II TRANSCRIPTIONAL COACTIVATOR P15
Authors:Zhao, Y, Liu, J.
Deposit date:2014-07-08
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Substitution of Tryptophan 89 with Tyrosine Switches the DNA Binding Mode of Pc4.
Sci.Rep., 5, 2015
3B57
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BU of 3b57 by Molmil
Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65
Descriptor: Lin1889 protein, MAGNESIUM ION
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-10-25
Release date:2007-11-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua.
To be Published
3J8G
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BU of 3j8g by Molmil
Electron cryo-microscopy structure of EngA bound with the 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
Authors:Zhang, X, Yan, K, Zhang, Y, Li, N, Ma, C, Li, Z, Zhang, Y, Feng, B, Liu, J, Sun, Y, Xu, Y, Lei, J, Gao, N.
Deposit date:2014-10-24
Release date:2014-11-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural insights into the function of a unique tandem GTPase EngA in bacterial ribosome assembly
Nucleic Acids Res., 2014
3JC7
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BU of 3jc7 by Molmil
Structure of the eukaryotic replicative CMG helicase and pumpjack motion
Descriptor: Cell division control protein 45, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
Authors:Li, H, Bai, L, Yuan, Z, Sun, J, Georgescu, R.E, Liu, J, O'Donnell, M.E.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of the eukaryotic replicative CMG helicase suggests a pumpjack motion for translocation.
Nat.Struct.Mol.Biol., 23, 2016
3K2Q
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BU of 3k2q by Molmil
Crystal structure of Pyrophosphate-dependent phosphofructokinase from Marinobacter aquaeolei, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MqR88
Descriptor: Pyrophosphate-dependent phosphofructokinase, SODIUM ION
Authors:Seetharaman, J, Lew, S, Wang, D, Neely, H, Janjua, K, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-09-30
Release date:2009-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Pyrophosphate-dependent phosphofructokinase from Marinobacter aquaeolei, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MqR88
To be Published
3K2T
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BU of 3k2t by Molmil
Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A
Descriptor: Lmo2511 protein
Authors:Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-09-30
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Lmo2511 protein from Listeria monocytogenes, northeast structural genomics consortium target LkR84A
To be Published
6OCP
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BU of 6ocp by Molmil
Crystal structure of a human GABAB receptor peptide bound to KCTD16 T1
Descriptor: BTB/POZ domain-containing protein KCTD16, Gamma-aminobutyric acid type B receptor subunit 2
Authors:Zuo, H, Glaaser, I, Zhao, Y, Kurinov, I, Mosyak, L, Wang, H, Liu, J, Park, J, Frangaj, A, Sturchler, E, Zhou, M, McDonald, P, Geng, Y, Slesinger, P.A, Fan, Q.R.
Deposit date:2019-03-25
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for auxiliary subunit KCTD16 regulation of the GABABreceptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
3BEY
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BU of 3bey by Molmil
Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Consortium target TT217
Descriptor: Conserved protein O27018
Authors:Kuzin, A.P, Gu, J, Xu, X, Neely, H, Forouhar, F, Owens, L, Mao, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-20
Release date:2007-12-18
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum.
To be Published
3JCB
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BU of 3jcb by Molmil
Structure of Simian Immunodeficiency Virus Envelope Spikes bound with CD4 and Monoclonal Antibody 36D5
Descriptor: Antibody 36D5 heavy chain, Antibody 36D5 light chain, Envelope glycoprotein gp120, ...
Authors:Hu, G, Liu, J, Roux, K, Taylor, K.A.
Deposit date:2015-11-25
Release date:2017-05-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY
Cite:Structure of Simian Immunodeficiency Virus Envelope Spikes Bound with CD4 and Monoclonal Antibody 36D5.
J. Virol., 91, 2017
3BB6
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BU of 3bb6 by Molmil
Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596
Descriptor: Uncharacterized protein yeaR, ZINC ION
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-09
Release date:2007-11-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-Ray structure of the P64488 from E.coli (strain K12).
To be Published
3BDR
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BU of 3bdr by Molmil
Crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. Northeast Structural Genomics Consortium target TeR13.
Descriptor: PHOSPHATE ION, Ycf58 protein
Authors:Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-15
Release date:2007-11-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus.
To be Published
2Q0Z
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BU of 2q0z by Molmil
Crystal structure of Q9P172/Sec63 from Homo sapiens. Northeast Structural Genomics Target HR1979.
Descriptor: Protein PRO2281
Authors:Benach, J, Neely, H, Abashidze, M, Edstrom, W.C, Seetharaman, J, Zhao, L, Fang, Y, Cunningham, K, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-23
Release date:2007-06-05
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Q9P172/Sec63 from Homo sapiens.
To be Published

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