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6XDM
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BU of 6xdm by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ARYL KETONE INHIBITOR
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-06-11
Release date:2020-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Selective Class I HDAC Inhibitors Based on Aryl Ketone Zinc Binding Induce HIV-1 Protein for Clearance.
Acs Med.Chem.Lett., 11, 2020
6V9C
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BU of 6v9c by Molmil
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION
Authors:Liu, J, Liu, H.
Deposit date:2019-12-13
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Acs Med.Chem.Lett., 11, 2020
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
Descriptor: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, J.
Deposit date:2020-05-10
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
6PW1
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BU of 6pw1 by Molmil
Cytochrome c Oxidase delta 16
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
6PW0
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BU of 6pw0 by Molmil
Cytochrome C oxidase delta 6 mutant
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
7RGW
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BU of 7rgw by Molmil
Crystal structure of HERC2 DOC domain
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase HERC2
Authors:Liu, J, Tencer, A.H, Kutateladze, T.G.
Deposit date:2021-07-15
Release date:2022-07-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The ZZ domain of HERC2 is a receptor of arginylated substrates.
Sci Rep, 12, 2022
3ZPB
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BU of 3zpb by Molmil
INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-27
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP6
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BU of 3zp6 by Molmil
INFLUENZA VIRUS (VN1194) H5 E190D mutant HA with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP0
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BU of 3zp0 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA with LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZPA
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BU of 3zpa by Molmil
INFLUENZA VIRUS (VN1194) H5 I155F mutant HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ
Authors:Liu, J, Chen, Z, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-27
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP3
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BU of 3zp3 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, ...
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP1
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BU of 3zp1 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA with LSTc
Descriptor: HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-2)-beta-D-galactopyranose
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
3ZP2
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BU of 3zp2 by Molmil
INFLUENZA VIRUS (VN1194) H5 HA A138V mutant with LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
Authors:Liu, J, Stevens, D.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2013-02-26
Release date:2013-10-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Changes in the Hemagglutinin of H5N1 Viruses During Human Infection - Influence on Receptor Binding.
Virology, 447, 2013
4EWH
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BU of 4ewh by Molmil
Co-crystal structure of ACK1 with inhibitor
Descriptor: 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1
Authors:Liu, J, Walker, N, Wang, Z.
Deposit date:2012-04-27
Release date:2012-09-19
Last modified:2012-10-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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
5F1I
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BU of 5f1i by Molmil
MHC with 9-mer peptide
Descriptor: 9-mer peptide, Beta2M, MHC class I DLA-88
Authors:Liu, J, Chai, Y, QI, J, Gao, G.F.
Deposit date:2015-11-30
Release date:2016-11-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.904 Å)
Cite:Diversified Anchoring Features the Peptide Presentation of DLA-88*50801: First Structural Insight into Domestic Dog MHC Class I
J Immunol., 197, 2016
5F1N
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BU of 5f1n by Molmil
MHC complexed to 11mer peptide
Descriptor: Beta-2-microglobulin, MHC class I antigen, Peptide from Cytochrome P450 family 1 subfamily B polypeptide 1
Authors:Liu, J, Chai, Y, Qi, J, Gao, G.F.
Deposit date:2015-11-30
Release date:2016-11-30
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Diversified Anchoring Features the Peptide Presentation of DLA-88*50801: First Structural Insight into Domestic Dog MHC Class I
J Immunol., 197, 2016
1MIT
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BU of 1mit by Molmil
RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE)
Descriptor: TRYPSIN INHIBITOR V
Authors:Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R.
Deposit date:1995-10-26
Release date:1996-04-03
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy.
Biochemistry, 35, 1996
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
7KBG
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BU of 7kbg by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 20)
Descriptor: 2,5-dichloro-1H-benzimidazole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Liu, J.
Deposit date:2020-10-02
Release date:2020-12-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
5YJH
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BU of 5yjh by Molmil
Structural insights into periostin functions
Descriptor: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Liu, H, Liu, J, Xu, F.
Deposit date:2017-10-10
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.957 Å)
Cite:Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
5YJG
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BU of 5yjg by Molmil
Structural insights into periostin functions
Descriptor: CALCIUM ION, CHLORIDE ION, CYSTEINE, ...
Authors:Liu, H, Liu, J, Xu, F.
Deposit date:2017-10-10
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Structural characterizations of human periostin dimerization and cysteinylation.
FEBS Lett., 592, 2018
6NE8
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BU of 6ne8 by Molmil
Solution Structure of the Thioredoxin-like Domain of Arabidopsis NCP (NUCLEAR CONTROL OF PEP ACTIVITY)
Descriptor: Thioredoxin-like fold domain-containing protein MRL7L, chloroplastic
Authors:Liu, J, Chen, M, Zhou, P.
Deposit date:2018-12-17
Release date:2019-12-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NCP activates chloroplast transcription by controlling phytochrome-dependent dual nuclear and plastidial switches.
Nat Commun, 10, 2019
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
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

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