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7SZG
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BU of 7szg by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA Pressurized with Xenon
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, FE (III) ION, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZF
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BU of 7szf by Molmil
Structure of the Rieske Non-heme Iron Oxygenase GxtA with beta-Saxitoxinol Bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
7SZH
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BU of 7szh by Molmil
Structure of the Rieske Non-heme Iron Oxygenase SxtT with beta-saxitoxinol Bound
Descriptor: CHLORIDE ION, FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Bridwell-Rabb, J, Liu, J.
Deposit date:2021-11-27
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design principles for site-selective hydroxylation by a Rieske oxygenase.
Nat Commun, 13, 2022
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
1I5X
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BU of 1i5x by Molmil
HIV-1 GP41 CORE
Descriptor: SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41)
Authors:Liu, J, Lu, M.
Deposit date:2001-03-01
Release date:2002-09-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of interhelical interactions in the human immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning mutagenesis.
J.Virol., 75, 2001
1I5Y
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BU of 1i5y by Molmil
HIV-1 GP41 CORE
Descriptor: SULFATE ION, TRANSMEMBRANE GLYCOPROTEIN (GP41)
Authors:Liu, J, Lu, M.
Deposit date:2001-03-01
Release date:2002-09-10
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional analysis of interhelical interactions in the human immunodeficiency virus type 1 gp41 envelope glycoprotein by alanine-scanning mutagenesis.
J.Virol., 75, 2001
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
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
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
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
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
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
8TIF
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BU of 8tif by Molmil
Cryo-EM of mono-pilus from S. islandicus REY15A
Descriptor: DUF973 family protein
Authors:Eastep, G.N, Liu, J, Rich-New, S.T, Egelman, E.H, Krupovic, M, Wang, F.
Deposit date:2023-07-19
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:Cryo-EM of mono-pilus from S. islandicus REY15A
To Be Published
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
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
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
2YPG
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BU of 2ypg by Molmil
Haemagglutinin of 1968 Human H3N2 Virus in Complex with Human Receptor Analogue LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, J, Xiong, X, Haire, L.F, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W.
Deposit date:2012-10-30
Release date:2012-11-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
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

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