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4REG
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BU of 4reg by Molmil
Crystal Structure Analysis of PF0642
Descriptor: Uncharacterized protein
Authors:He, J.H, Zhou, H, Liu, X.P.
Deposit date:2014-09-23
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural and functional characterization of PF0642
To be Published
4E5Y
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BU of 4e5y by Molmil
Structure of human FX protein, the key enzyme in the biosynthesis of GDP-L-fucose
Descriptor: GDP-L-fucose synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, H, He, J.H.
Deposit date:2012-03-15
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of human FX protein, the key enzyme in the biosynthesis of GDP-L-fucose
To be Published
5GM2
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BU of 5gm2 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
Descriptor: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
Deposit date:2016-07-12
Release date:2016-09-28
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
5GM1
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BU of 5gm1 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH
Descriptor: O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
Deposit date:2016-07-12
Release date:2016-09-28
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
6A9W
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BU of 6a9w by Molmil
Structure of the bifunctional DNA primase-polymerase from phage NrS-1
Descriptor: Primase
Authors:Guo, H.J, Li, M.J, Wang, T.L, Wu, H, Zhou, H, Xu, C.Y, Liu, X.P, Yu, F, He, J.H.
Deposit date:2018-07-16
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and biochemical studies of the bifunctional DNA primase-polymerase from phage NrS-1.
Biochem. Biophys. Res. Commun., 510, 2019
4HY6
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BU of 4hy6 by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1
Descriptor: 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one, Heat shock protein HSP 90-alpha
Authors:Yang, M, Li, J, He, J.H.
Deposit date:2012-11-13
Release date:2013-05-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ1
to be published
4PXG
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BU of 4pxg by Molmil
Crystal Structure of TypeII restriction Enzyme Sau3AI
Descriptor: CALCIUM ION, Type-2 restriction enzyme Sau3AI
Authors:Xu, C.Y, Yu, F, Hu, X.J, He, J.H.
Deposit date:2014-03-24
Release date:2015-03-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The 2.45 A Crystal Structure of the Restriction Endonuclease Sau3AI Suggests a Self-Inhibition Mechanism
To be Published
4L36
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BU of 4l36 by Molmil
Crystal structure of the cytochrome P450 enzyme TxtE
Descriptor: HEME B/C, IMIDAZOLE, Putative P450-like protein
Authors:Yu, F, Li, M.J, Xu, C.Y, Wang, Z.J, Zhou, H, Yang, M, Chen, Y.X, Tang, L, He, J.H.
Deposit date:2013-06-05
Release date:2013-12-11
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural Insights into the Mechanism for Recognizing Substrate of the Cytochrome P450 Enzyme TxtE.
Plos One, 8, 2013
4R6M
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BU of 4r6m by Molmil
Crystal Structure of DNA Duplex Containing Two Consecutive Mercury-mediated Base Pairs
Descriptor: DNA (5'-D(P*CP*GP*CP*GP*TP*TP*GP*TP*CP*C)-3'), DNA (5'-D(P*GP*GP*AP*CP*TP*TP*CP*GP*CP*G)-3'), MERCURY (II) ION
Authors:Xu, C.Y, Yu, F, Wang, L.H, Zhao, Y, Lin, T, Fan, C.H, He, J.H.
Deposit date:2014-08-26
Release date:2015-09-02
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Crystal Structure of DNA Duplex Containing Two Consecutive Mercury-mediated Base Pairs
To be Published
5X4J
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BU of 5x4j by Molmil
The crystal structure of Pyrococcus furiosus RecJ (Zn-soaking)
Descriptor: CHLORIDE ION, Uncharacterized protein, ZINC ION
Authors:Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
Deposit date:2017-02-13
Release date:2018-02-14
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4K
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BU of 5x4k by Molmil
The complex crystal structure of Pyrococcus furiosus RecJ and CMP
Descriptor: CYTIDINE-5'-MONOPHOSPHATE, Uncharacterized protein, ZINC ION
Authors:Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
Deposit date:2017-02-13
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4H
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BU of 5x4h by Molmil
The crystal structure of Pyrococcus furiosus RecJ (wild-type)
Descriptor: MAGNESIUM ION, Uncharacterized protein
Authors:Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
Deposit date:2017-02-13
Release date:2018-02-14
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5X4I
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BU of 5x4i by Molmil
Pyrococcus furiosus RecJ (D83A, Mn-soaking)
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Uncharacterized protein
Authors:Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P.
Deposit date:2017-02-13
Release date:2018-02-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
5XR9
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BU of 5xr9 by Molmil
Crystal structure of Human Hsp90 with FS6
Descriptor: Heat shock protein HSP 90-alpha, N-[3-[5-bromanyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-08
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Crystal structure of Human Hsp90 with FS6
To Be Published
5XRE
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BU of 5xre by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1
Descriptor: Heat shock protein HSP 90-alpha, N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-08
Release date:2018-07-04
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor JX1
To Be Published
5XQE
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BU of 5xqe by Molmil
Crystal structure of Human Hsp90 with FS3
Descriptor: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-07
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Crystal structure of Human Hsp90 with FS3
To Be Published
5XRD
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BU of 5xrd by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7
Descriptor: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1H-pyrazol-5-yl}acetamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-08
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FS7
To Be Published
5XQD
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BU of 5xqd by Molmil
Crystal structure of Human Hsp90 with FS2
Descriptor: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-07
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Human Hsp90 with FS2
To Be Published
5XR5
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BU of 5xr5 by Molmil
Crystal structure of Human Hsp90 with FS4
Descriptor: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-07
Release date:2018-06-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Human Hsp90 with FS4
To Be Published
5XRB
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BU of 5xrb by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
Descriptor: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
Authors:Li, J, Shi, F, Xiong, B, He, J.H.
Deposit date:2017-06-08
Release date:2018-07-04
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
To Be Published
3NSS
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BU of 3nss by Molmil
The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Li, Q, Qi, J.X, Zhang, W, Vavricka, C.J, Shi, Y, Gao, G.F.
Deposit date:2010-07-02
Release date:2010-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:The 2009 pandemic H1N1 neuraminidase N1 lacks the 150-cavity in its active site
Nat.Struct.Mol.Biol., 17, 2010
3TPP
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BU of 3tpp by Molmil
Crystal structure of BACE1 complexed with an inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPJ
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BU of 3tpj by Molmil
APO structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPR
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BU of 3tpr by Molmil
Crystal structure of BACE1 complexed with an inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012

 

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