Author results

3ML9
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DISCOVERY OF THE HIGHLY POTENT PI3K/MTOR DUAL INHIBITOR PF-04691502 THROUGH STRUCTURE BASED DRUG DESIGN
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2014-07-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3TCL
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CRYSTAL STRUCTURE OF HIV-1 NEUTRALIZING ANTIBODY CH04
Descriptor:CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
Authors:Louder, R.K., McLellan, J.S., Pancera, M., Yang, Y., Zhang, B., Bonsignori, M., Kwong, P.D.
Deposit date:2011-08-09
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3TG4
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STRUCTURE OF SMYD2 IN COMPLEX WITH SAM
Descriptor:N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Zhao, K., Wang, L.
Deposit date:2011-08-17
Release date:2011-08-31
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
3TG5
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STRUCTURE OF SMYD2 IN COMPLEX WITH P53 AND SAH
Descriptor:N-lysine methyltransferase SMYD2, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Zhao, K., Wang, L.
Deposit date:2011-08-17
Release date:2011-08-31
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation
J.Biol.Chem., 2011
3U1S
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CRYSTAL STRUCTURE OF HUMAN FAB PGT145, A BROADLY REACTIVE AND POTENT HIV-1 NEUTRALIZING ANTIBODY
Descriptor:Fab PGT145 Light chain, Fab PGT145 Heavy chain, SULFATE ION, ...
Authors:Julien, J.-P., Diwanji, D., Burton, D.R., Wilson, I.A.
Deposit date:2011-09-30
Release date:2011-12-07
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U2S
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CRYSTAL STRUCTURE OF PG9 FAB IN COMPLEX WITH V1V2 REGION FROM HIV-1 STRAIN ZM109
Descriptor:PG9 heavy chain, PG9 light chain, Envelope glycoprotein gp120, ...
Authors:McLellan, J.S., Pancera, M., Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U36
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CRYSTAL STRUCTURE OF PG9 FAB
Descriptor:PG9 Fab heavy chain, PG9 Fab light chain, SULFATE ION
Authors:McLellan, J.S., Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (3.281 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U46
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CH04H/CH02L P212121
Descriptor:CH04 Heavy chain Fab, CH02 Light chain Fab
Authors:Louder, R., Pancera, M., McLellan, J.S., Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U4B
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CH04H/CH02L FAB P4
Descriptor:CH04 Heavy chain, CH02 Light chain
Authors:Pancera, M., Louder, R., Mclellan, J.S., KWong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4HVB
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CATALYTIC UNIT OF PI3KG IN COMPLEX WITH PI3K/MTOR DUAL INHIBITOR PF-04979064
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one
Authors:Knighton, D.R., Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4NM6
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CRYSTAL STRUCTURE OF TET2-DNA COMPLEX
Descriptor:Methylcytosine dioxygenase TET2, 5'-D(*AP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*T)-3', ZINC ION, ...
Authors:Hu, L., Li, Z., Cheng, J., Rao, Q., Gong, W., Liu, M., Wang, P., Xu, Y.
Deposit date:2013-11-14
Release date:2013-12-18
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (2.026 Å)
Cite:Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation.
Cell(Cambridge,Mass.), 155, 2013
4OLU
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CRYSTAL STRUCTURE OF ANTIBODY VRC07 IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLV
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54F IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLW
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54H IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLX
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54L IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLY
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54R IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OLZ
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54W IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OM0
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-G54Y IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4OM1
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CRYSTAL STRUCTURE OF ANTIBODY VRC07-I30Q, G54W, S58N IN COMPLEX WITH CLADE A/E 93TH057 HIV-1 GP120 CORE
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2014-01-25
Release date:2014-09-03
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.131 Å)
Cite:Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
4QOC
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CRYSTAL STRUCTURE OF COMPOUND 16 BOUND TO MDM2(17-111), {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-CYCLOPROPYL-2-(PYRROLIDIN-1-YLSULFONYL)ETHYL]-3-METHYL-2-OXOPIPERIDIN-3-YL}ACETIC ACID
Descriptor:E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-cyclopropyl-2-(pyrrolidin-1-ylsulfonyl)ethyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2015-05-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction.
Bioorg.Med.Chem.Lett., 24, 2014
5BPP
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STRUCTURE OF HUMAN LEUKOTRIENE A4 HYDROLASE IN COMPLEX WITH INHIBITOR 4AZ
Descriptor:Leukotriene A-4 hydrolase, ZINC ION, YTTERBIUM (III) ION, ...
Authors:Huang, J., Dong, N.N., Xiao, Q., Ou, P.Y., Wu, D., Lu, W.Q.
Deposit date:2015-05-28
Release date:2016-08-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5E73
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH ACETYLINDOLE COMPOUND UZH47
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
Authors:Lolli, G., Spiliotopoulos, D., Unzue, A., Nevado, C., Caflisch, A.
Deposit date:2015-10-11
Release date:2015-10-28
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5E74
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CRYSTAL STRUCTURE OF BAZ2B BROMODOMAIN IN COMPLEX WITH ACETYLINDOLE COMPOUND UZH50
Descriptor:Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
Authors:Lolli, G., Spiliotopoulos, D., Dolbois, A., Nevado, C., Caflisch, A.
Deposit date:2015-10-11
Release date:2015-10-21
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5QJ0
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ETHYL(METHYLSULFONYL)AMINO]-2-(4-FLUOROPHENYL)-N-METHYL-5-(3-{[1-(PYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}PHENYL)-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor:RNA-dependent RNA polymerase, 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide, THIOCYANATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018
5QJ1
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CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ETHYLAMINO)-2-(4-FLUOROPHENYL)-5-(3-{[1-(5-FLUOROPYRIMIDIN-2-YL)CYCLOPROPYL]CARBAMOYL}-4-METHOXYPHENYL)-N-METHYL-1-BENZOFURAN-3-CARBOXAMIDE
Descriptor:RNA-dependent RNA polymerase, 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2018-08-13
Release date:2018-11-21
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.
ACS Med Chem Lett, 9, 2018