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5XJA
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THE CRYSTAL STRUCTURE OF THE MINIMAL CORE DOMAIN OF THE MICROTUBULE DEPOLYMERIZER KIF2C COMPLEXED WITH ADP-MG-ALFX
Descriptor:Kinesin-like protein KIF2C, MAGNESIUM ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Ogawa, T., Jiang, X., Hirokawa, N.
Deposit date:2017-04-30
Release date:2017-09-13
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
5XJB
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THE CRYSTAL STRUCTURE OF THE MINIMAL CORE DOMAIN OF THE MICROTUBULE DEPOLYMERIZER KIF2C COMPLEXED WITH ADP-MG-BEFX
Descriptor:Kinesin-like protein KIF2C, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ogawa, T., Jiang, X., Hirokawa, N.
Deposit date:2017-04-30
Release date:2017-09-13
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
6C9W
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CRYSTAL STRUCTURE OF A LIGAND BOUND LACY/NANOBODY COMPLEX
Descriptor:Lactose permease, Nanobody9047, 4-nitrophenyl alpha-D-galactopyranoside, ...
Authors:Kumar, H., Finer-Moore, J.S., Jiang, X., Smirnova, I., Kasho, V., Pardon, E., Steyaert, J., Kaback, H.R., Stroud, R.M.
Deposit date:2018-01-29
Release date:2018-08-15
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a ligand-bound LacY-Nanobody Complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6FXN
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CRYSTAL STRUCTURE OF HUMAN BAFF IN COMPLEX WITH FAB FRAGMENT OF ANTI-BAFF ANTIBODY BELIMUMAB
Descriptor:Tumor necrosis factor ligand superfamily member 13B, belimumab heavy chain, belimumab light chain
Authors:Lammens, A., Maskos, K., Willen, L., Jiang, X., Schneider, P.
Deposit date:2018-03-09
Release date:2018-04-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A loop region of BAFF controls B cell survival and regulates recognition by different inhibitors.
Nat Commun, 9, 2018
3GO1
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CRYSTAL STRUCTURE OF ANTI-HIV-1 FAB 268-D IN COMPLEX WITH V3 PEPTIDE MN
Descriptor:Fab 268-D, light chain, heavy chain, ...
Authors:Kong, X.P., Burke, V.J.
Deposit date:2009-03-18
Release date:2010-06-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLR
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2557 IN COMPLEX WITH A NY5 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLS
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 MAB 2557 FAB IN COMPLEX WITH A HIV-1 GP120 V3 MIMOTOPE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, Rationally designed V3 mimotope
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLT
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2557 IN COMPLEX WITH A UG1033 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLU
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2557 IN COMPLEX WITH A ZAM18 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLV
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 2557 IN COMPLEX WITH AN NOF V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 2557 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLW
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 1006-15D IN COMPLEX WITH AN MN V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 1006-15D Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 1006-15D Fab heavy chain, HIV-1 gp120 third variable region (V3) crown, ...
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLX
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 3074 IN COMPLEX WITH AN MN V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLY
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 3074 IN COMPLEX WITH A UR29 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3MLZ
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CRYSTAL STRUCTURE OF ANTI-HIV-1 V3 FAB 3074 IN COMPLEX WITH A VI191 V3 PEPTIDE
Descriptor:Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, HIV-1 gp120 third variable region (V3) crown
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
6DI1
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CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Descriptor:Tyrosine-protein kinase BTK, 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
Authors:Jiang, X.
Deposit date:2018-05-22
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
6AFR
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 5-((4-FLUORO-1H-IMIDAZOL-1-YL)METHYL)QUINOLIN-8-OL
Descriptor:Bromodomain-containing protein 4, 5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
Authors:Xing, J., Zhang, R.K., Zheng, M.Y., Luo, C., Jiang, X.R.
Deposit date:2018-08-08
Release date:2018-12-12
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
Eur J Med Chem, 163, 2018
4I9Z
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CRYSTAL STRUCTURE OF THE PDE5A1 CATALYTIC DOMAIN IN COMPLEX WITH NOVEL INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, ZINC ION, ...
Authors:Ren, J., Chen, T., Xu, Y.
Deposit date:2012-12-05
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
4IA0
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CRYSTAL STRUCTURE OF THE PDE5A1 CATALYTIC DOMAIN IN COMPLEX WITH NOVEL INHIBITORS
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, ZINC ION, ...
Authors:Ren, J., Chen, T., Xu, Y.
Deposit date:2012-12-05
Release date:2014-01-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
4G2W
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CRYSTAL STRUCTURE OF PDE5A IN COMPLEX WITH ITS INHIBITOR
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ...
Authors:Ren, J., Chen, T.T., Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G2Y
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CRYSTAL STRUCTURE OF PDE5A COMPLEXED WITH ITS INHIBITOR
Descriptor:cGMP-specific 3',5'-cyclic phosphodiesterase, DI(HYDROXYETHYL)ETHER, ZINC ION, ...
Authors:Ren, J., Chen, T.T., Xu, Y.C.
Deposit date:2012-07-13
Release date:2013-06-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4Q77
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CRYSTAL STRUCTURE OF ROT, A GLOBAL REGULATOR OF VIRULENCE GENES IN STAPHYLOCOCCUS AUREUS
Descriptor:HTH-type transcriptional regulator rot, GLYCEROL
Authors:Zhu, Y., Fan, X., Li, X., Teng, M.
Deposit date:2014-04-24
Release date:2014-09-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of Rot, a global regulator of virulence genes in Staphylococcus aureus
Acta Crystallogr.,Sect.D, 70, 2014
2F3I
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SOLUTION STRUCTURE OF A SUBUNIT OF RNA POLYMERASE II
Descriptor:DNA-directed RNA polymerases I, II, and III 17.1 kDa polypeptide
Authors:Kang, X., Jin, C.
Deposit date:2005-11-21
Release date:2006-05-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structural, biochemical, and dynamic characterizations of the hRPB8 subunit of human RNA polymerases
J.Biol.Chem., 281, 2006
3BQJ
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VA387 POLYPEPTIDE
Descriptor:va387 polypeptide
Authors:Bu, W., Mamedova, A., Tan, M., Jiang, J., Hegde, R.
Deposit date:2007-12-20
Release date:2008-04-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
5H24
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EED IN COMPLEX WITH PRC2 ALLOSTERIC INHIBITOR COMPOUND 8
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
Authors:Zhao, K., Zhao, M., Luo, X., Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H25
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EED IN COMPLEX WITH PRC2 ALLOSTERIC INHIBITOR COMPOUND 11
Descriptor:Polycomb protein EED, Histone-lysine N-methyltransferase EZH2, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
Authors:Zhao, K., Zhao, M., Luo, X., Zhang, H.
Deposit date:2016-10-14
Release date:2017-01-25
Last modified:2017-04-05
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017