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PDB: 889 results

4X3Q
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BU of 4x3q by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with SAH
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, SibL
Authors:liu, J.S, Chen, S.C, Yang, C.S, Huang, C.H, Chen, Y.
Deposit date:2014-12-01
Release date:2015-11-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Crystal structure of S-adenosylmethionine-dependent methyltransferase SibL in complex with SAH
To Be Published, 2015
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
Last modified:2024-06-05
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., 67, 2024
8HTS
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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
Last modified:2024-06-05
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., 67, 2024
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
1I5X
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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
4ATX
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BU of 4atx by Molmil
Rigor kinesin motor domain with an ordered neck-linker, docked on tubulin dimer, modelled into the 8A cryo-EM map of doublecortin- microtubules decorated with kinesin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-1 HEAVY CHAIN, ...
Authors:Liu, J.S, Schubert, C.R, Fu, X, Fourniol, F.J, Jaiswal, J.K, Houdusse, A, Stultz, C.M, Moores, C.A, Walsh, C.A.
Deposit date:2012-05-10
Release date:2012-09-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Molecular Basis for Specific Regulation of Neuronal Kinesin- 3 Motors by Doublecortin Family Proteins.
Mol.Cell, 47, 2012
4ATU
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BU of 4atu by Molmil
Human doublecortin N-DC repeat plus linker, and tubulin (2XRP) docked into an 8A cryo-EM map of doublecortin-stabilised microtubules reconstructed in absence of kinesin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, NEURONAL MIGRATION PROTEIN DOUBLECORTIN, ...
Authors:Liu, J.S, Schubert, C.R, Fu, X, Fourniol, F.J, Jaiswal, J.K, Houdusse, A, Stultz, C.M, Moores, C.A, Walsh, C.A.
Deposit date:2012-05-09
Release date:2012-09-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Molecular Basis for Specific Regulation of Neuronal Kinesin- 3 Motors by Doublecortin Family Proteins.
Mol.Cell, 47, 2012
2WR5
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BU of 2wr5 by Molmil
structure of influenza H2 duck Ontario hemagglutinin
Descriptor: HEMAGGLUTININ
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-08-29
Release date:2009-09-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRD
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BU of 2wrd by Molmil
structure of H2 japan hemagglutinin
Descriptor: HEMAGGLUTININ
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-09-01
Release date:2009-09-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRC
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BU of 2wrc by Molmil
the structure of influenza H2 human singapore hemagglutinin
Descriptor: HEMAGGLUTININ
Authors:Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
Deposit date:2009-09-01
Release date:2009-09-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.706 Å)
Cite:From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
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:2024-11-20
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
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:2024-11-20
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
463D
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BU of 463d by Molmil
CALCIUM FORM OF D(CGCGAATTCGCG)2
Descriptor: CALCIUM ION, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Liu, J, Subirana, J.A.
Deposit date:1999-03-29
Release date:1999-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of d(CGCGAATTCGCG) in the presence of Ca(2+) ions.
J.Biol.Chem., 274, 1999
426D
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BU of 426d by Molmil
THE STRUCTURE OF MOST STUDIED DNA FRAGMENT CHANGES UNDER THE INFLUENCE OF IONS: A NEW PACKING OF D(CGCGAATTCGCG)
Descriptor: 5'-D(CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', CALCIUM ION
Authors:Liu, J, Malinina, L, Subirana, J.A.
Deposit date:1998-09-17
Release date:1998-11-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of the most studied DNA fragment changes under the influence of ions: a new packing of d(CGCGAATTCGCG).
FEBS Lett., 438, 1998
8PE9
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BU of 8pe9 by Molmil
Complex between DDR1 DS-like domain and PRTH-101 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N.
Deposit date:2023-06-13
Release date:2023-06-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.152 Å)
Cite:A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
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:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enhanced Human Receptor Binding by H5 Haemagglutinins.
Virology, 456, 2014
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:2024-11-20
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
3TO2
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BU of 3to2 by Molmil
Structure of HLA-A*0201 complexed with peptide Md3-C9 derived from a clustering region of restricted cytotoxic T lymphocyte epitope from SARS-CoV M protein
Descriptor: Beta-2-microglobulin, MHC class I antigen, Md3-C9 peptide derived from Membrane glycoprotein
Authors:Liu, J, Qi, J, Gao, F, Yan, J, Gao, G.F.
Deposit date:2011-09-03
Release date:2012-08-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional and Structural Definition of a Clustering Region of HLA-A2-restricted Cytotoxic T Lymphocyte Epitopes
Sci.Technology Rev., 29, 2011
6LON
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BU of 6lon by Molmil
Crystal structure of HPSG
Descriptor: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, GLYCEROL, PFL2/glycerol dehydratase family glycyl radical enzyme, ...
Authors:Liu, J, Zhang, Y, Yuchi, Z.
Deposit date:2020-01-06
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Two radical-dependent mechanisms for anaerobic degradation of the globally abundant organosulfur compound dihydroxypropanesulfonate.
Proc.Natl.Acad.Sci.USA, 117, 2020
3TCP
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BU of 3tcp by Molmil
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569
Descriptor: 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ...
Authors:Liu, J, Yang, C, Simpson, C, DeRyckere, D, Van Deusen, A, Miley, M, Kireev, D.B, Norris-Drouin, J, Sather, S, Hunter, D, Patel, H.S, Janzen, W.P, Machius, M, Johnson, G, Earp, H.S, Graham, D.K, Frye, S, Wang, X.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3, 2012
6ZVS
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BU of 6zvs by Molmil
C12 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Descriptor: Vipp1
Authors:Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
6ZW6
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BU of 6zw6 by Molmil
C16 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Descriptor: vipp1
Authors:Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (7.4 Å)
Cite:Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
6ZW7
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BU of 6zw7 by Molmil
C17 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Descriptor: vipp1
Authors:Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H.
Deposit date:2020-07-27
Release date:2021-08-04
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily.
Cell, 184, 2021
3U91
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BU of 3u91 by Molmil
Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
Descriptor: Gp41, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Authors:Liu, J, Lu, M.
Deposit date:2011-10-17
Release date:2013-04-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Determinants of Trimerization Specificity in HIV-1 gp41 Protein
To be Published
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

227561

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