Author results

1M59
  • Download 1m59
  • View 1m59
Molmil generated image of 1m59
CRYSTAL STRUCTURE OF P40V MUTANT OF TRYPSIN-SOLUBILIZED FRAGMENT OF CYTOCHROME B5
Descriptor:Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wang, Z.-Q., Wu, J., Wang, Y.-H., Qian, W., Xie, Y., Xia, Z.-X., Huang, Z.-X.
Deposit date:2002-07-09
Release date:2003-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Proline40 is essential to maintaining cytochrome b5 stability and its electron transfer with cytochrome c
Chin.J.Chem., 20, 2002
1SK3
  • Download 1sk3
  • View 1sk3
Molmil generated image of 1sk3
CRYSTAL STRUCTURE OF THE C-TERMINAL PEPTIDOGLYCAN-BINDING DOMAIN OF HUMAN PEPTIDOGLYCAN RECOGNITION PROTEIN IALPHA
Descriptor:Peptidoglycan recognition protein I-alpha, NICKEL (II) ION, SULFATE ION
Authors:Guan, R., Malchiodi, E.L., Qian, W., Schuck, P., Mariuzza, R.A.
Deposit date:2004-03-04
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
J.Biol.Chem., 279, 2004
1SK4
  • Download 1sk4
  • View 1sk4
Molmil generated image of 1sk4
CRYSTAL STRUCTURE OF THE C-TERMINAL PEPTIDOGLYCAN-BINDING DOMAIN OF HUMAN PEPTIDOGLYCAN RECOGNITION PROTEIN IALPHA
Descriptor:Peptidoglycan recognition protein I-alpha, SODIUM ION
Authors:Guan, R., Malchiodi, E.L., Qian, W., Schuck, P., Mariuzza, R.A.
Deposit date:2004-03-04
Release date:2004-07-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the C-terminal peptidoglycan-binding domain of human peptidoglycan recognition protein Ialpha
J.Biol.Chem., 279, 2004
2WGT
  • Download 2wgt
  • View 2wgt
Molmil generated image of 2wgt
STRUCTURE OF HUMAN ADENOVIRUS SEROTYPE 37 FIBRE HEAD IN COMPLEX WITH A SIALIC ACID DERIVATIVE, O-METHYL 5-N-PROPAONYL-3,5-DIDEOXY-D- GLYCERO-A-D-GALACTO-2-NONULOPYRANOSYLONIC ACID
Descriptor:FIBER PROTEIN, 3,5-DIDEOXY-5-(PROPANOYLAMINO)-D-GLYCERO-ALPHA-D-GALACTO-NON-2-ULOPYRANOSONIC ACID, ZINC ION
Authors:Johansson, S., Nilsson, E., Qian, W., Guilligay, D., Crepin, T., Cusack, S., Arnberg, N., Elofsson, M.
Deposit date:2009-04-27
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
2WGU
  • Download 2wgu
  • View 2wgu
Molmil generated image of 2wgu
STRUCTURE OF HUMAN ADENOVIRUS SEROTYPE 37 FIBRE HEAD IN COMPLEX WITH A SIALIC ACID DERIVATIVE, O-METHYL 5-N- METHOXYCARBONYL -3,5-DIDEOXY- D-GLYCERO-A-D-GALACTO-2-NONULOPYRANOSYLONIC ACID
Descriptor:FIBER PROTEIN, 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ZINC ION
Authors:Johansson, S., Nilsson, E., Qian, W., Guilligay, D., Crepin, T., Cusack, S., Arnberg, N., Elofsson, M.
Deposit date:2009-04-27
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
3SJ8
  • Download 3sj8
  • View 3sj8
Molmil generated image of 3sj8
CRYSTAL STRUCTURE OF THE 3C PROTEASE FROM COXSACKIEVIRUS A16
Descriptor:3C protease
Authors:Lu, G., Qi, J., Chen, Z., Xu, X., Gao, F., Lin, D., Qian, W., Liu, H., Jiang, H., Yan, J., Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJ9
  • Download 3sj9
  • View 3sj9
Molmil generated image of 3sj9
CRYSTAL STRUCTURE OF THE C147A MUTANT 3C OF CVA16 IN COMPLEX WITH FAGLRQAVTQ PEPTIDE
Descriptor:3C protease, FAGLRQAVTQ peptide
Authors:Lu, G., Qi, J., Chen, Z., Xu, X., Gao, F., Lin, D., Qian, W., Liu, H., Jiang, H., Yan, J., Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJI
  • Download 3sji
  • View 3sji
Molmil generated image of 3sji
CRYSTAL STRUCTURE OF CVA16 3C IN COMPLEX WITH RUPINTRIVIR (AG7088)
Descriptor:3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, SODIUM ION
Authors:Lu, G., Qi, J., Chen, Z., Xu, X., Gao, F., Lin, D., Qian, W., Liu, H., Jiang, H., Yan, J., Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJK
  • Download 3sjk
  • View 3sjk
Molmil generated image of 3sjk
CRYSTAL STRUCTURE OF THE C147A MUTANT 3C FROM ENTEROVIRUS 71
Descriptor:3C protease, KPVLRTATVQGPSLDF peptide
Authors:Lu, G., Qi, J., Chen, Z., Xu, X., Gao, F., Lin, D., Qian, W., Liu, H., Jiang, H., Yan, J., Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJO
  • Download 3sjo
  • View 3sjo
Molmil generated image of 3sjo
STRUCTURE OF EV71 3C IN COMPLEX WITH RUPINTRIVIR (AG7088)
Descriptor:3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Lu, G., Qi, J., Chen, Z., Xu, X., Gao, F., Lin, D., Qian, W., Liu, H., Jiang, H., Yan, J., Gao, G.F.
Deposit date:2011-06-21
Release date:2011-08-10
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
4ARA
  • Download 4ara
  • View 4ara
Molmil generated image of 4ara
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH (R)-C5685 AT 2.5 A RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Berg, L., Niemiec, M.S., Qian, W., Andersson, C.D., WittungStafshede, P., Ekstrom, F., Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4ARB
  • Download 4arb
  • View 4arb
Molmil generated image of 4arb
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH (S)-C5685 AT 2.25 A RESOLUTION.
Descriptor:ACETYLCHOLINESTERASE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Berg, L., Niemiec, M.S., Qian, W., Andersson, C.D., WittungStafshede, P., Ekstrom, F., Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4B7Z
  • Download 4b7z
  • View 4b7z
Molmil generated image of 4b7z
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH N-(2-DIETHYLAMINO-ETHYL)-1-(4-METHYLPHENYL)-METHANESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B80
  • Download 4b80
  • View 4b80
Molmil generated image of 4b80
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH N-(2-DIETHYLAMINO-ETHYL)-1-(4-FLUORO-PHENYL)-METHANESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, N-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)methanesulfonamide, 1,2-ETHANEDIOL, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.
J. Med. Chem., 56, 2013
4B81
  • Download 4b81
  • View 4b81
Molmil generated image of 4b81
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH 1-(4-CHLORO-PHENYL)- N-(2-DIETHYLAMINO-ETHYL)-METHANESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide, SULFATE ION, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B82
  • Download 4b82
  • View 4b82
Molmil generated image of 4b82
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH N-(2-DIETHYLAMINO- ETHYL)-2-FLUORANYL-BENZENESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B83
  • Download 4b83
  • View 4b83
Molmil generated image of 4b83
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH N-(2-DIETHYLAMINO- ETHYL)-3-METHOXY-BENZENESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide, 1,2-ETHANEDIOL, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B84
  • Download 4b84
  • View 4b84
Molmil generated image of 4b84
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH N-(2-DIETHYLAMINO- ETHYL)-3-TRIFLUOROMETHYL-BENZENESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, N-ACETYL-D-GLUCOSAMINE, 3,6,9,12,15-PENTAOXAHEPTADECANE, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4B85
  • Download 4b85
  • View 4b85
Molmil generated image of 4b85
MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH 4-CHLORANYL-N-(2- DIETHYLAMINO-ETHYL)-BENZENESULFONAMIDE
Descriptor:ACETYLCHOLINESTERASE, 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide, SULFATE ION, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Berg, L., Qian, W., Ekstrom, F., Linusson, A.
Deposit date:2012-08-24
Release date:2013-09-04
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
4BTL
  • Download 4btl
  • View 4btl
Molmil generated image of 4btl
AROMATIC INTERACTIONS IN ACETYLCHOLINESTERASE-INHIBITOR COMPLEXES
Descriptor:ACETYLCHOLINESTERASE, 4-(2-chloro-6-nitrophenoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Andersson, C.D., Forsgren, N., Akfur, C., Allgardsson, A., Qian, W., Engdahl, C., Berg, L., Ekstrom, F., Linusson, A.
Deposit date:2013-06-18
Release date:2013-09-11
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergent Structure-Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors.
J.Med.Chem., 56, 2013
3WLW
  • Download 3wlw
  • View 3wlw
Molmil generated image of 3wlw
MOLECULAR ARCHITECTURE OF THE ERBB2 EXTRACELLULAR DOMAIN HOMODIMER
Descriptor:Receptor tyrosine-protein kinase erbB-2, Antibody H Chain, Antibody L Chain, ...
Authors:Hu, S., Lou, Z.Y., Guo, Y.J.
Deposit date:2013-11-15
Release date:2015-05-27
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (3.088 Å)
Cite:Molecular architecture of the ErbB2 extracellular domain homodimer.
Oncotarget, 6, 2015
3WD5
  • Download 3wd5
  • View 3wd5
Molmil generated image of 3wd5
CRYSTAL STRUCTURE OF TNFALPHA IN COMPLEX WITH ADALIMUMAB FAB FRAGMENT
Descriptor:Tumor necrosis factor, Adalimumab Light Chain, Adalimumab Heavy Chain
Authors:Hu, S., Liang, S.Y., Guo, Y.J., Lou, Z.Y.
Deposit date:2013-06-06
Release date:2013-08-14
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Comparison of the inhibition mechanisms of adalimumab and infliximab in treating tumor necrosis factor alpha-associated diseases from a molecular view
J.Biol.Chem., 288, 2013
4XKX
  • Download 4xkx
  • View 4xkx
Molmil generated image of 4xkx
CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH 2-AMINOOXAZOLINE 3-AZAXANTHENE INHIBITOR 28
Descriptor:Beta-secretase 1, IODIDE ION, (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, ...
Authors:Whittington, D.A., Long, A.M.
Deposit date:2015-01-12
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious beta-secretase inhibitors for the potential treatment of Alzheimer's disease.
Bioorg.Med.Chem.Lett., 25, 2015
3QND
  • Download 3qnd
  • View 3qnd
Molmil generated image of 3qnd
CRYSTAL STRUCTURE OF AD37 FIBER KNOB IN COMPLEX WITH TRIVALENT SIALIC ACID INHIBITOR
Descriptor:Fiber protein, ZINC ION, O-SIALIC ACID
Authors:Stehle, T., Bauer, J., Elofsson, M.
Deposit date:2011-02-08
Release date:2011-06-15
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A potent trivalent sialic Acid inhibitor of adenovirus type 37 infection of human corneal cells.
Angew.Chem.Int.Ed.Engl., 50, 2011
3VBC
  • Download 3vbc
  • View 3vbc
Molmil generated image of 3vbc
CRYSTAL STRUCTURE OF IL-17 RECEPTOR B SEFIR DOMAIN
Descriptor:Interleukin-17 receptor B
Authors:Zhang, B., Liu, C., Li, X., Deng, J.
Deposit date:2012-01-02
Release date:2013-02-06
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of IL-17 Receptor B SEFIR Domain.
J.Immunol., 190, 2013
<12>