Author results

2HY0
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 22
Descriptor:Serine/threonine-protein kinase Chk1, 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE
Authors:Yan, Y.
Deposit date:2006-08-04
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2QHN
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 1A
Descriptor:Serine/threonine-protein kinase Chk1, 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE
Authors:Yan, Y., Munshi, S.
Deposit date:2007-07-02
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2HXL
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 1
Descriptor:Serine/threonine-protein kinase Chk1, 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)-1H-INDAZOLE-6-CARBONITRILE
Authors:Yan, Y.
Deposit date:2006-08-03
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2HOG
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 20
Descriptor:Serine/threonine-protein kinase Chk1, (5-{3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-1H-INDAZOL-6-YL}-2H-1,2,3-TRIAZOL-4-YL)METHANOL
Authors:Yan, Y., Ikuta, M.
Deposit date:2006-07-14
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.
Bioorg.Med.Chem.Lett., 16, 2006
2R0U
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 54
Descriptor:Serine/threonine-protein kinase Chk1, 6-(3-aminopropyl)-4-(3-hydroxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h]isoquinolin-1(2H)-one
Authors:Yan, Y., Ikuta, M.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.
Bioorg.Med.Chem.Lett., 17, 2007
3F9N
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CRYSTAL STRUCTURE OF CHK1 KINASE IN COMPLEX WITH INHIBITOR 38
Descriptor:Serine/threonine-protein kinase Chk1, 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-4(3H)-one, SULFATE ION
Authors:Yan, Y., Munshi, S., Ikuta, M.
Deposit date:2008-11-14
Release date:2009-01-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of thioquinazolinones, allosteric Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4DBF
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CRYSTAL STRUCTURES OF CG1458
Descriptor:2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION
Authors:Ran, T.T., Xu, D.Q., Wang, W.W., Gao, Y.Y., Wang, M.T.
Deposit date:2012-01-15
Release date:2012-11-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
4DBH
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CRYSTAL STRUCTURE OF CG1458 WITH INHIBITOR
Descriptor:2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION, OXALATE ION
Authors:Ran, T.T., Wang, W.W., Xu, D.Q., Gao, Y.Y.
Deposit date:2012-01-15
Release date:2012-11-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
2ELA
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CRYSTAL STRUCTURE OF THE PTB DOMAIN OF HUMAN APPL1
Descriptor:Adapter protein containing PH domain, PTB domain and leucine zipper motif 1
Authors:Li, J., Mao, X., Dong, L.Q., Liu, F., Tong, L.
Deposit date:2007-03-27
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of the BAR-PH and PTB Domains of Human APPL1
Structure, 15, 2007
2HXQ
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 2
Descriptor:Serine/threonine-protein kinase Chk1, 3-(5-{[4-(AMINOMETHYL)PIPERIDIN-1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-2(1H)-ONE
Authors:Yan, Y.
Deposit date:2006-08-03
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2QHM
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CRYSTAL STRUCTURE OF CHEK1 IN COMPLEX WITH INHIBITOR 2A
Descriptor:Serine/threonine-protein kinase Chk1, (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE
Authors:Yan, Y., Munshi, S.
Deposit date:2007-07-02
Release date:2008-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5Z6P
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THE CRYSTAL STRUCTURE OF AN AGARASE, AGWH50C
Descriptor:B-agarase
Authors:Mao, X., Zhou, J., Zhang, P., Zhang, L., Zhang, J., Li, Y.
Deposit date:2018-01-24
Release date:2019-01-02
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
4XCH
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S-RIBOSYLHOMOCYSTEINASE FROM STREPTOCOCCUS SUIS
Descriptor:S-ribosylhomocysteine lyase, ZINC ION
Authors:Wang, Y., Mao, X., Lu, C.
Deposit date:2014-12-18
Release date:2015-06-24
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of LuxS from Streptococcus suis
To Be Published
1GHD
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CRYSTAL STRUCTURE OF THE GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE BY MAD PHASING
Descriptor:GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE
Authors:Ding, Y., Jiang, W., Mao, X., He, H., Zhang, S., Tang, H., Bartlam, M., Ye, S., Jiang, F., Liu, Y., Zhao, G., Rao, Z.
Deposit date:2000-12-07
Release date:2003-07-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Affinity alkylation of the Trp-B4 residue of the beta -subunit of the glutaryl 7-aminocephalosporanic acid acylase of Pseudomonas sp. 130.
J.Biol.Chem., 277, 2002
3SWJ
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CRYSTAL STRUCTURE OF CAMPYLOBACTER JEJUNI CHUZ
Descriptor:Putative uncharacterized protein, PROTOPORPHYRIN IX CONTAINING FE, AZIDE ION
Authors:Hu, Y.
Deposit date:2011-07-14
Release date:2011-11-09
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.409 Å)
Cite:Crystal structure of Campylobacter jejuni ChuZ: a split-barrel family heme oxygenase with a novel heme-binding mode.
Biochem.Biophys.Res.Commun., 415, 2011
2ELB
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CRYSTAL STRUCTURE OF THE BAR-PH DOMAIN OF HUMAN APPL1
Descriptor:Adapter protein containing PH domain, PTB domain and leucine zipper motif 1
Authors:Li, J., Mao, X., Dong, L.Q., Liu, F., Tong, L.
Deposit date:2007-03-27
Release date:2007-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of the BAR-PH and PTB Domains of Human APPL1
Structure, 15, 2007
3NCX
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CRYSTAL STRUCTURE OF EHEC O157:H7 INTIMIN MUTANT
Descriptor:Intimin adherence protein
Authors:Yi, Y., Gao, F., Gao, G.F., Zou, Q.M.
Deposit date:2010-06-06
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of EHEC Intimin: Insights into the Complementarity between EPEC and EHEC
Plos One, 5, 2010
3NCW
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CRYSTAL STRUCTURE OF EHEC O157:H7 INTIMIN
Descriptor:Intimin adherence protein
Authors:Yi, Y., Gao, F., Gao, G.F., Zou, Q.M.
Deposit date:2010-06-06
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of EHEC Intimin: Insights into the Complementarity between EPEC and EHEC
Plos One, 5, 2010
4PH4
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THE CRYSTAL STRUCTURE OF HUMAN VPS34 IN COMPLEX WITH PIK-III
Descriptor:Phosphatidylinositol 3-kinase catalytic subunit type 3, GLYCEROL, 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine
Authors:Knapp, M.S., Elling, R.A.
Deposit date:2014-05-04
Release date:2014-10-29
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
5GVU
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CRYSTAL STRUCTURE OF BVDV NS3 HELICASE DOMAIN
Descriptor:NS3 helicase
Authors:Li, S., Mao, X.
Deposit date:2016-09-06
Release date:2017-09-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:crystal structure of BVDV NS3 helicase
To Be Published
5WSO
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CRYSTAL STRUCTURE OF BVDV NS3 HELICASE
Descriptor:NS3 helicase
Authors:Li, P., Shi, J., Wang, S., Li, S., Mao, X.
Deposit date:2016-12-08
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal structure of BVDV NS3 helicase
To Be Published
1YVL
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STRUCTURE OF UNPHOSPHORYLATED STAT1
Descriptor:Signal transducer and activator of transcription 1-alpha/beta, 5-residue peptide, GOLD ION
Authors:Mao, X., Ren, Z., Parker, G.N., Sondermann, H., Pastorello, M.A., Wang, W., McMurray, J.S., Demeler, B., Darnell Jr., J.E., Chen, X.
Deposit date:2005-02-16
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural bases of unphosphorylated STAT1 association and receptor binding.
Mol.Cell, 17, 2005
3CWG
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UNPHOSPHORYLATED MOUSE STAT3 CORE FRAGMENT
Descriptor:Signal transducer and activator of transcription 3
Authors:Ren, Z., Mao, X., Mertens, C., Krishnaraj, R., Qin, J., Mandal, P.K., Romanowshi, M.J., McMurray, J.S.
Deposit date:2008-04-21
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of unphosphorylated STAT3 core fragment.
Biochem.Biophys.Res.Commun., 374, 2008
1FLI
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DNA-BINDING DOMAIN OF FLI-1
Descriptor:FLI-1
Authors:Liang, H., Mao, X., Olejniczak, E.T., Nettesheim, D.G., Yu, L., Meadows, R.P., Thompson, C.B., Fesik, S.W.
Deposit date:1994-09-15
Release date:1995-09-15
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the ets domain of Fli-1 when bound to DNA.
Nat.Struct.Biol., 1, 1994
1RDE
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NMR STRUCTURE OF THE THROMBIN-BINDING DNA APTAMER STABILIZED BY SR2+
Descriptor:Thrombin-binding DNA aptamer
Authors:Mao, X., Marky, L.A., Gmeiner, W.H.
Deposit date:2003-11-05
Release date:2003-11-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR structure of the thrombin-binding DNA aptamer stabilized by Sr2+.
J.Biomol.Struct.Dyn., 22, 2004
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