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4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
3TI3
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BU of 3ti3 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI5
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BU of 3ti5 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI6
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BU of 3ti6 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir
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, ACETATE ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI8
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BU of 3ti8 by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3QA8
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BU of 3qa8 by Molmil
Crystal Structure of inhibitor of kappa B kinase beta
Descriptor: MGC80376 protein
Authors:Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H.
Deposit date:2011-01-10
Release date:2011-04-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of inhibitor of kappa B kinase beta.
Nature, 472, 2011
3WSB
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BU of 3wsb by Molmil
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
Descriptor: Farnesyltransferase, putative, N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, ...
Authors:Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2014-03-05
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
To be Published
3S2I
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BU of 3s2i by Molmil
Crystal Structure of FurX NADH+:Furfuryl alcohol II
Descriptor: FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L.
Deposit date:2011-05-16
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
3RZF
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BU of 3rzf by Molmil
Crystal Structure of Inhibitor of kappaB kinase beta (I4122)
Descriptor: (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein
Authors:Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H.
Deposit date:2011-05-11
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure of inhibitor of KappaB kinase Beta.
Nature, 472, 2011
4M57
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BU of 4m57 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 from maize
Descriptor: Chloroplast pentatricopeptide repeat protein 10
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
4M59
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BU of 4m59 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element
Descriptor: Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
8TS6
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BU of 8ts6 by Molmil
Cyanophage A-1(L) portal
Descriptor: Portal protein
Authors:Yu, R.C, Li, Q, Zhou, C.Z.
Deposit date:2023-08-11
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
4QN7
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BU of 4qn7 by Molmil
Crystal structure of neuramnidase N7 complexed with Oseltamivir
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:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4Q2W
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BU of 4q2w by Molmil
Crystal Structure of pneumococcal peptidoglycan hydrolase LytB
Descriptor: GLYCEROL, Putative endo-beta-N-acetylglucosaminidase
Authors:Bai, X.H, Chen, H.J, Jiang, Y.L, Wen, Z, Cheng, W, Li, Q, Zhang, J.R, Chen, Y, Zhou, C.Z.
Deposit date:2014-04-10
Release date:2014-07-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of pneumococcal peptidoglycan hydrolase LytB reveals insights into the bacterial cell wall remodeling and pathogenesis.
J.Biol.Chem., 289, 2014
4QN5
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BU of 4qn5 by Molmil
Neuraminidase N5 binds LSTa at the second SIA binding site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4QN6
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BU of 4qn6 by Molmil
Crystal structure of Neuraminidase N6 complexed with Laninamivir
Descriptor: 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, Neuraminidase, ...
Authors:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4QN4
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BU of 4qn4 by Molmil
Crystal structure of Neuraminidase N6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4QN3
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BU of 4qn3 by Molmil
Crystal structure of Neuraminidase N7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
4HMP
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BU of 4hmp by Molmil
Crystal structure of iron uptake ABC transporter substrate-binding protein PiaA from Streptococcus pneumoniae TIGR4
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, GLYCEROL, ...
Authors:Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z.
Deposit date:2012-10-18
Release date:2013-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
4HMO
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BU of 4hmo by Molmil
Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with Bis-tris propane
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Iron-compound ABC transporter, ...
Authors:Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z.
Deposit date:2012-10-18
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
4HMQ
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BU of 4hmq by Molmil
Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with ferrichrome
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Cheng, W, Li, Q, Jiang, Y.-L, Chen, Y, Zhou, C.-Z.
Deposit date:2012-10-18
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Streptococcus pneumoniae PiaA and Its Complex with Ferrichrome Reveal Insights into the Substrate Binding and Release of High Affinity Iron Transporters
Plos One, 8, 2013
5YRP
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BU of 5yrp by Molmil
Crystal structure of the EAL domain of Mycobacterium smegmatis DcpA
Descriptor: MAGNESIUM ION, Sensory box/response regulator
Authors:Chen, H.J, li, N, Luo, Y, Jiang, Y.L, Zhou, C.Z, Chen, Y, Li, Q.
Deposit date:2017-11-09
Release date:2018-05-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The GDP-switched GAF domain of DcpA modulates the concerted synthesis/hydrolysis of c-di-GMP inMycobacterium smegmatis.
Biochem. J., 475, 2018
4JU0
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BU of 4ju0 by Molmil
Crystal structure of 2009 pandemic influenza virus hemagglutinin mutant D225E complexed 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, Hemagglutinin, ...
Authors:Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F.
Deposit date:2013-03-24
Release date:2013-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013
4JUG
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BU of 4jug by Molmil
Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F.
Deposit date:2013-03-24
Release date:2013-05-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution
J.Virol., 87, 2013

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