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4CNH
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 3-((1R)-1-(5-FLUORO-2-METHOXYPHENYL)ETHOXY)-5-(1-METHYL-1H- 1,2,3-TRIAZOL-5-YL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(1-methyl-1H-1,2,3-triazol-5-yl)pyridin-2-amine
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-22
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CTB
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR (5R)-8-AMINO-3-FLUORO-5,19-DIMETHYL-20-OXO-5,18,19,20- TETRAHYDRO-7,11-(AZENO)PYRIDO(2',1':2,3)IMIDAZO(4,5-H)(2,5,11) BENZOXADIAZACYCLOTETRADECINE-14-CARBONITRILE
Descriptor:ALK TYROSINE KINASE RECEPTOR, (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-03-12
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
4CTC
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STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 7-AMINO-3-CYCLOPROPYL-12-FLUORO-1,10,16-TRIMETHYL-16,17- DIHYDRO-1H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) BENZOXADIAZACYCLOTETRADECIN-15(10H)-ONE
Descriptor:ALK TYROSINE KINASE RECEPTOR, (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-03-12
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
5YBE
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STRUCTURE OF KANK1/KIF21A COMPLEX
Descriptor:Kank1 protein, KIF21A, 1,2-ETHANEDIOL
Authors:Weng, Z.F., Shang, Y., Yao, D.Q., Zhu, J.W., Zhang, R.G.
Deposit date:2017-09-04
Release date:2017-11-29
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex.
J. Biol. Chem., 293, 2018
5ZYS
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STRUCTURE OF NEPHRIN/MAGI1 COMPLEX
Descriptor:Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin
Authors:Weng, Z.F., Shng, Y., Zhu, J.W., Zhang, R.G.
Deposit date:2018-05-28
Release date:2019-01-23
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling.
J. Am. Soc. Nephrol., 29, 2018
3RJR
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CRYSTAL STRUCTURE OF PRO-TGF BETA 1
Descriptor:Transforming growth factor beta-1, N-ACETYL-D-GLUCOSAMINE
Authors:Zhu, J.H., Shi, M.L., Springer, T.A.
Deposit date:2011-04-15
Release date:2011-06-15
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Latent TGF-Beta structure and activation
Nature, 474, 2011
6IDX
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CRYSTAL STRUCTURE OF BAI1/ELMO2 COMPLEX
Descriptor:Engulfment and cell motility protein 2, Adhesion G protein-coupled receptor B1
Authors:Weng, Z.F., Lin, L., Zhu, J.W., Zhang, R.G.
Deposit date:2018-09-11
Release date:2019-01-23
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
6IE1
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CRYSTAL STRUCTURE OF ELMO2(ENGULFMENT AND CELL MOTILITY PROTEIN 2)
Descriptor:Engulfment and cell motility protein 2, GLYCEROL
Authors:Weng, Z.F., Lin, L., Zhang, R.G., Zhu, J.W.
Deposit date:2018-09-12
Release date:2019-01-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
6PPA
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CRYSTAL STRUCTURE OF THE UNLIGANDED BROMODOMAIN OF HUMAN BRD7
Descriptor:Bromodomain-containing protein 7, PHOSPHATE ION, 1,2-ETHANEDIOL
Authors:Chan, A., Karim, M.R., Zhu, J., Schonbrunn, E.
Deposit date:2019-07-05
Release date:2020-03-11
Last modified:2020-04-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
3U4E
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CRYSTAL STRUCTURE OF PG9 FAB IN COMPLEX WITH V1V2 REGION FROM HIV-1 STRAIN CAP45
Descriptor:V1V2 region of HIV-1 on 1FD6 scaffold, PG9 Heavy Chain, PG9 Light Chain, ...
Authors:Gorman, J., McLellan, J., Pancera, M., Kwong, P.D.
Deposit date:2011-10-07
Release date:2011-11-30
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4OAS
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CO-CRYSTAL STRUCTURE OF MDM2 (17-111) IN COMPLEX WITH COMPOUND 25
Descriptor:E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid, SULFATE ION
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
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
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
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:2019-12-25
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