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5HYC
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BU of 5hyc by Molmil
Structure based function annotation of a hypothetical protein MGG_01005 related to the development of rice blast fungus
Descriptor: Cytoplasmic dynein 1 intermediate chain 2, Uncharacterized protein
Authors:Liu, J, Li, G, Huang, J, Peng, Y.-l.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure based function-annotation of hypothetical protein MGG_01005 from Magnaporthe oryzae reveals it is the dynein light chain orthologue of dynlt1/3.
Sci Rep, 8, 2018
3EQP
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BU of 3eqp by Molmil
Crystal Structure of Ack1 with compound T95
Descriptor: Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
Authors:Liu, J, Wang, Z, Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EQR
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BU of 3eqr by Molmil
Crystal Structure of Ack1 with compound T74
Descriptor: Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Authors:Liu, J, Wang, Z, Walker, N.P.C.
Deposit date:2008-10-01
Release date:2008-12-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
6CI0
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BU of 6ci0 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Hiser, C, Ferguson-Miller, S.
Deposit date:2018-02-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Biochim. Biophys. Acta, 1859, 2018
4B7Q
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BU of 4b7q by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ...
Authors:Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-21
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.728 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
4B7R
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BU of 4b7r by Molmil
H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, J, van der Vries, E, Vachieri, S.G, Xiong, X, Collins, P.J, Walker, P.A, Haire, L.F, Hay, A.J, Schutten, M, Osterhaus, A.D.M.E, Martin, S.R, Boucher, C.A.B, Skehel, J.J, Gamblin, S.J.
Deposit date:2012-08-21
Release date:2012-10-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:H1N1 2009 Pandemic Influenza Virus: Resistance of the I223R Neuraminidase Mutant Explained by Kinetic and Structural Analysis
Plos Pathog., 8, 2012
4CQZ
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BU of 4cqz by Molmil
Crystal Structure of H5 (VN1194) Gln196Arg Mutant Haemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, J, Xiong, X, Xiao, H, Martin, S.R, Coombs, P.J, Collins, P.J, Vachieri, S.G, Walker, P.A, Lin, Y.P, McCauley, J.W, Gamblin, S.J, Skehel, J.J.
Deposit date:2014-02-21
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
4DN5
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BU of 4dn5 by Molmil
Crystal Structure of NF-kB-inducing Kinase (NIK)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Min, X, Liu, J, Sudom, A, Walker, N.P, Wang, Z.
Deposit date:2012-02-08
Release date:2012-06-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation
J.Biol.Chem., 287, 2012
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
Descriptor: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
Authors:Liu, J, Xu, D, Fu, T, Pan, L.
Deposit date:2016-08-01
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
8J5D
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BU of 8j5d by Molmil
Cryo-EM structure of starch degradation complex of BAM1-LSF1-MDH
Descriptor: Beta-amylase 1, chloroplastic, Malate dehydrogenase, ...
Authors:Guan, Z.Y, Liu, J, Yan, J.J.
Deposit date:2023-04-21
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The LIKE SEX FOUR 1-malate dehydrogenase complex functions as a scaffold to recruit beta-amylase to promote starch degradation.
Plant Cell, 36, 2023
4IDV
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BU of 4idv by Molmil
Crystal Structure of NIK with compound 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol (13V)
Descriptor: 4-{3-[2-amino-5-(2-methoxyethoxy)pyrimidin-4-yl]-1H-indol-5-yl}-2-methylbut-3-yn-2-ol, Mitogen-activated protein kinase kinase kinase 14
Authors:Liu, J, Sudom, A, Wang, Z.
Deposit date:2012-12-13
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4IDT
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BU of 4idt by Molmil
Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)
Descriptor: 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine, Mitogen-activated protein kinase kinase kinase 14
Authors:Liu, J, Sudom, A, Wang, Z.
Deposit date:2012-12-13
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibiting NF-KB-inducing kinase (NIK): Discovery, structure-based design, synthesis, structure activity relationship, and co-crystal structures
Bioorg.Med.Chem.Lett., 23, 2013
4F0I
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BU of 4f0i by Molmil
Crystal structure of apo TrkA
Descriptor: High affinity nerve growth factor receptor
Authors:Liu, J.
Deposit date:2012-05-04
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:The Crystal Structures of TrkA and TrkB Suggest Key Regions for Achieving Selective Inhibition.
J.Mol.Biol., 423, 2012
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
2LSJ
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BU of 2lsj by Molmil
Solution structure of the mouse Rev1 CTD in complex with the Rev1-interacting Region (RIR)of Pol Kappa
Descriptor: DNA polymerase kappa, DNA repair protein REV1
Authors:Liu, J, Wojtaszek, J, Zhou, P.
Deposit date:2012-05-01
Release date:2012-06-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Multifaceted recognition of vertebrate Rev1 by translesion polymerases zeta and kappa.
J.Biol.Chem., 287, 2012
2LSG
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BU of 2lsg by Molmil
Solution structure of the mouse Rev1 C-terminal domain
Descriptor: DNA repair protein REV1
Authors:Liu, J, Wojtaszek, J, Zhou, P.
Deposit date:2012-04-30
Release date:2012-06-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Multifaceted recognition of vertebrate Rev1 by translesion polymerases zeta and kappa.
J.Biol.Chem., 287, 2012
3DNO
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BU of 3dno by Molmil
Molecular structure for the HIV-1 gp120 trimer in the CD4-bound state
Descriptor: HIV-1 envelope glycoprotein gp120
Authors:Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S.
Deposit date:2008-07-02
Release date:2008-08-19
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Molecular architecture of native HIV-1 gp120 trimers.
Nature, 455, 2008
3DNN
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BU of 3dnn by Molmil
Molecular structure for the HIV-1 gp120 trimer in the unliganded state
Descriptor: HIV-1 envelope glycoprotein gp120
Authors:Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S.
Deposit date:2008-07-02
Release date:2008-08-19
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Molecular architecture of native HIV-1 gp120 trimers.
Nature, 455, 2008
3CK4
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BU of 3ck4 by Molmil
A heterospecific leucine zipper tetramer
Descriptor: GCN4 leucine zipper, MAGNESIUM ION
Authors:Liu, J.
Deposit date:2008-03-14
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
3CRP
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BU of 3crp by Molmil
A heterospecific leucine zipper tetramer
Descriptor: GCN4 leucine zipper, SODIUM ION
Authors:Liu, J.
Deposit date:2008-04-07
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A heterospecific leucine zipper tetramer.
Chem.Biol., 15, 2008
3DNL
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BU of 3dnl by Molmil
Molecular structure for the HIV-1 gp120 trimer in the b12-bound state
Descriptor: HIV-1 envelope glycoprotein gp120
Authors:Borgnia, M.J, Liu, J, Bartesaghi, A, Sapiro, G, Subramaniam, S.
Deposit date:2008-07-02
Release date:2008-08-19
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Molecular architecture of native HIV-1 gp120 trimers.
Nature, 455, 2008
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
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
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

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