Author results

6GW9
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CONCANAVALIN A STRUCTURE DETERMINED WITH DATA FROM THE EUXFEL, THE FIRST MHZ FREE ELECTRON LASER
Descriptor:Concanavalin V, MAGNESIUM ION, CALCIUM ION
Authors:Gruenbein, M.L., Gorel, A., Stricker, M., Bean, R., Bielecki, J., Doerner, K., Hartmann, E., Hilpert, M., Kloos, M., Letrun, R., Sztuk-Dambietz, J., Mancuso, A., Meserschmidt, M., Nass-Kovacs, G., Ramilli, M., Roome, C.M., Sato, T., Doak, R.B., Shoeman, R.L., Foucar, L., Colletier, J.P., Barends, T.R.M., Stan, C., Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6GWA
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CONCANAVALIN B STRUCTURE DETERMINED WITH DATA FROM THE EUXFEL, THE FIRST MHZ FREE ELECTRON LASER
Descriptor:Concanavalin B
Authors:Gruenbein, M.L., Gorel, A., Stricker, M., Bean, R., Bielecki, J., Doerner, K., Hartmann, E., Hilpert, M., Kloos, M., Letrun, R., Sztuk-Dambietz, J., Mancuso, A., Meserschmidt, M., Nass-Kovacs, G., Ramilli, M., Roome, C.M., Sato, T., Doak, R.B., Shoeman, R.L., Foucar, L., Colletier, J.P., Barends, T.R.M., Stan, C., Schlichting, I.
Deposit date:2018-06-22
Release date:2018-09-05
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6H0K
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HEN EGG-WHITE LYSOZYME STRUCTURE DETERMINED WITH DATA FROM THE EUXFEL, THE FIRST MHZ FREE ELECTRON LASER, 7.47 KEV PHOTON ENERGY
Descriptor:Lysozyme C
Authors:Gruenbein, M.L., Gorel, A., Stricker, M., Bean, R., Bielecki, J., Doerner, K., Hartmann, E., Hilpert, M., Kloos, M., Letrun, R., Sztuk-Dambietz, J., Mancuso, A., Meserschmidt, M., Nass-Kovacs, G., Ramilli, M., Roome, C.M., Sato, T., Doak, R.B., Shoeman, R.L., Foucar, L., Colletier, J.P., Barends, T.R.M., Stan, C., Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6H0L
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HEN EGG-WHITE LYSOZYME STRUCTURE DETERMINED WITH DATA FROM THE EUXFEL, 9.22 KEV PHOTON ENERGY
Descriptor:Lysozyme C
Authors:Gruenbein, M.L., Gorel, A., Stricker, M., Bean, R., Bielecki, J., Doerner, K., Hartmann, E., Hilpert, M., Kloos, M., Letrun, R., Sztuk-Dambietz, J., Mancuso, A., Meserschmidt, M., Nass-Kovacs, G., Ramilli, M., Roome, C.M., Sato, T., Doak, R.B., Shoeman, R.L., Foucar, L., Colletier, J.P., Barends, T.R.M., Stan, C., Schlichting, I.
Deposit date:2018-07-10
Release date:2018-09-05
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Megahertz data collection from protein microcrystals at an X-ray free-electron laser.
Nat Commun, 9, 2018
6J14
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COMPLEX STRUCTURE OF GY-14 AND PD-1
Descriptor:GY-14 heavy chain V fragment, GY-14 light chain V fragment, Programmed cell death protein 1
Authors:Chen, D., Tan, S., Whang, H., Zhang, H., Chai, Y., Qi, J., Yan, J., Gao, G.F.
Deposit date:2018-12-27
Release date:2019-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
6J15
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COMPLEX STRUCTURE OF GY-5 FAB AND PD-1
Descriptor:Programmed cell death protein 1, GY-5 heavy chain Fab, GY-5 light chain Fab, ...
Authors:Chen, D., Tan, S., Zhang, H., Wang, H., Chai, Y., Qi, J., Yan, J., Gao, G.F.
Deposit date:2018-12-27
Release date:2019-11-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
6LY4
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THE CRYSTAL STRUCTURE OF THE BM3 MUTANT LG-23 IN COMPLEX WITH TESTOSTERONE
Descriptor:Bifunctional cytochrome P450/NADPH--P450 reductase, TESTOSTERONE, IMIDAZOLE, ...
Authors:Peng, Y., Chen, J., Zhou, J., Li, A., ReetZ, M.T.
Deposit date:2020-02-13
Release date:2020-04-29
Last modified:2020-06-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 2020
3DBD
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 094
Descriptor:Polo-like kinase 1, 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
Authors:Elling, R.A., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBE
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 557
Descriptor:Polo-like kinase 1, 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
Authors:Elling, R.A., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3ML8
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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, 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
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
3NGB
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC01 IN COMPLEX WITH HIV-1 GP120
Descriptor:Envelope glycoprotein gp160, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
Authors:Zhou, T., Kwong, P.D.
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis for broad and potent neutralization of HIV-1 by antibody VRC01.
Science, 329, 2010
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
3TGQ
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CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 CLADE B STRAIN YU2 GP120 CORE
Descriptor:HIV-1 YU2 gp120, N-ACETYL-D-GLUCOSAMINE
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGR
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CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 CLADE C STRAIN C1086 GP120 CORE
Descriptor:HIV-1 clade C1086 gp120, N-ACETYL-D-GLUCOSAMINE
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGS
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CRYSTAL STRUCTURE OF HIV-1 CLADE C STRAIN C1086 GP120 CORE IN COMPLEX WITH NBD-556
Descriptor:HIV-1 clade C1086 gp120 core, N-ACETYL-D-GLUCOSAMINE, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TGT
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CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 CLADE A/E STRAIN 93TH057 GP120 CORE
Descriptor:HIV-1 clade A/E 93TH057 gp120, N-ACETYL-D-GLUCOSAMINE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TIH
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CRYSTAL STRUCTURE OF UNLIGANDED HIV-1 CLADE C STRAIN ZM109F.PB4 GP120 CORE
Descriptor:HIV-1 clade C ZM109F.PB4 gp120
Authors:Kwon, Y.D., Kwong, P.D.
Deposit date:2011-08-20
Release date:2012-04-04
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (4 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
4LSP
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC-CH31 IN COMPLEX WITH HIV-1 CLADE A/E GP120 93TH057
Descriptor:HIV-1 CLADE A/E STRAIN 93TH057 GP120, HEAVY CHAIN OF ANTIBODY VRC-CH31, LIGHT CHAIN OF ANTIBODY VRC-CH31, ...
Authors:Zhou, T., Moquin, S., Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-09-04
Last modified:2014-05-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSQ
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC-CH31 IN COMPLEX WITH HIV-1 CLADE A/E GP120 93TH057 WITH LOOP D AND LOOP V5 FROM CLADE A STRAIN 3415_V1_C1
Descriptor:ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN 3415_V1_C1, HEAVY CHAIN OF ANTIBODY VRC-CH31, LIGHT CHAIN OF ANTIBODY VRC-CH31 WITH N70D MUTATION, ...
Authors:Zhou, T., Moquin, S., Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSR
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC-CH31 IN COMPLEX WITH HIV-1 CLADE A/E STRAN 93TH057 GP120 WITH LOOP D AND LOOP V5 FROM CLADE A STRAIN KER_2018_11
Descriptor:ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN ker_2018_11, HEAVY CHAIN OF ANTIBODY VRC-CH31, LIGHT CHAIN OF ANTIBODY VRC-CH31 (N70D MUTATION), ...
Authors:Zhou, T., Moquin, S., Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2014-05-07
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LSS
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC01 IN COMPLEX WITH HIV-1 CLADE A STRAIN KER_2018_11 GP120
Descriptor:envelope glycoprotein GP120, HEAVY CHAIN OF ANTIBODY VRC01, LIGHT CHAIN OF ANTIBODY VRC01 with N72T mutation, ...
Authors:Zhou, T., Moquin, S., Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
4LST
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CRYSTAL STRUCTURE OF BROADLY AND POTENTLY NEUTRALIZING ANTIBODY VRC01 IN COMPLEX WITH HIV-1 CLADE C STRAIN ZM176.66 GP120
Descriptor:ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, HEAVY CHAIN OF ANTIBODY VRC01, LIGHT CHAIN OF ANTIBODY VRC01, ...
Authors:Zhou, T., Moquin, S., Kwong, P.D.
Deposit date:2013-07-23
Release date:2013-08-21
Last modified:2014-05-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013