Author results

4CD0
  • Download 4cd0
  • View 4cd0
Molmil generated image of 4cd0
STRUCTURE OF L1196M MUTANT HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH 2-(5-(6-AMINO-5-((R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2- YL)PHENYL)ETHOXY)PYRIDIN-3-YL)-4-METHYLTHIAZOL-2-YL)PROPANE-1,2-DIOL
Descriptor:ALK TYROSINE KINASE RECEPTOR, (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
Authors:McTigue, M., Deng, Y., Liu, W., Brooun, A., Stewart, A.
Deposit date:2013-10-29
Release date:2014-01-29
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
4CLI
  • Download 4cli
  • View 4cli
Molmil generated image of 4cli
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH PF- 06463922 ((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).
Descriptor:ALK TYROSINE KINASE RECEPTOR, (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
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-14
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.05 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
4CLJ
  • Download 4clj
  • View 4clj
Molmil generated image of 4clj
STRUCTURE OF L1196M MUTANT HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH PF-06463922 ((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).
Descriptor:ALK TYROSINE KINASE RECEPTOR, (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
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-14
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.66 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
4CMO
  • Download 4cmo
  • View 4cmo
Molmil generated image of 4cmo
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 2-((1R)-1-((3-AMINO-6-(2-METHOXYPYRIDIN-3-YL)PYRAZIN-2-YL) OXY)ETHYL)-4-FLUORO-N-METHYLBENZAMIDE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 2-[(1R)-1-{[3-amino-6-(2-methoxypyridin-3-yl)pyrazin-2-yl]oxy}ethyl]-4-fluoro-N-methylbenzamide
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-16
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.05 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
4CMT
  • Download 4cmt
  • View 4cmt
Molmil generated image of 4cmt
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR 3-((1R)-1-(5-FLUORO-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)ETHOXY)- 5-(3-(METHYLSULFONYL)PHENYL)PYRIDIN-2-AMINE
Descriptor:ALK TYROSINE KINASE RECEPTOR, 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine
Authors:McTigue, M.A., Deng, Y.L., Liu, W., Brooun, A., Stewart, A.E.
Deposit date:2014-01-17
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.73 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
4CMU
  • Download 4cmu
  • View 4cmu
Molmil generated image of 4cmu
STRUCTURE OF THE HUMAN ANAPLASTIC LYMPHOMA KINASE IN COMPLEX WITH THE INHIBITOR (10R)-7-AMINO-12-FLUORO-1,3,10,16-TETRAMETHYL-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-12-fluoro-1,3,10,16-tetramethyl-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:2014-01-17
Release date:2014-05-28
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.8 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
4CNH
  • Download 4cnh
  • View 4cnh
Molmil generated image of 4cnh
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
  • Download 4ctb
  • View 4ctb
Molmil generated image of 4ctb
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
  • Download 4ctc
  • View 4ctc
Molmil generated image of 4ctc
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
  • Download 5ybe
  • View 5ybe
Molmil generated image of 5ybe
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
  • Download 5zys
  • View 5zys
Molmil generated image of 5zys
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
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
  • Download 3rjr
  • View 3rjr
Molmil generated image of 3rjr
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
  • Download 6idx
  • View 6idx
Molmil generated image of 6idx
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
  • Download 6ie1
  • View 6ie1
Molmil generated image of 6ie1
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
3U4E
  • Download 3u4e
  • View 3u4e
Molmil generated image of 3u4e
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:2011-12-21
Method:X-RAY DIFFRACTION (2.185 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4NWK
  • Download 4nwk
  • View 4nwk
Molmil generated image of 4nwk
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH BMS-605339 AKA N-(TERT-BUTOXYCARBONYL)-3-ME THYL-L-VALYL-(4R)-N-((1R,2S)-1-((CYCLOPROPYLSULFONYL)CARBA MOYL)-2-VINYLCYCLOPROPYL)-4-((6-METHOXY-1-ISOQUINOLINYL)OX Y)-L-PROLINAMIDE
Descriptor:HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ZINC ION, ...
Authors:Muckelbauer, J.K., Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
  • Download 4nwl
  • View 4nwl
Molmil generated image of 4nwl
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH BMS-650032 AKA N-(TERT-BUTOXYCARBONYL)-3-ME THYL-L-VALYL-(4R)-4-((7-CHLORO-4-METHOXY-1-ISOQUINOLINYL)O XY)-N-((1R,2S)-1-((CYCLOPROPYLSULFONYL)CARBAMOYL)-2-VINYLC YCLOPROPYL)-L-PROLINAMIDE
Descriptor:HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K., Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4OAS
  • Download 4oas
  • View 4oas
Molmil generated image of 4oas
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
4QO4
  • Download 4qo4
  • View 4qo4
Molmil generated image of 4qo4
CO-CRYSTAL STRUCTURE OF MDM2 (17-111) WITH COMPOUND 16, {(3R,5R,6S)-5-(3-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-1-[(1S)-1-(6-CYCLOPROPYLPYRIDIN-2-YL)PROPYL]-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-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2014-06-19
Release date:2014-07-16
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Potent and Simplified Piperidinone-Based Inhibitors of the MDM2-p53 Interaction.
ACS Med Chem Lett, 5, 2014
5XDZ
  • Download 5xdz
  • View 5xdz
Molmil generated image of 5xdz
CRYSTAL STRUCTURE OF ZEBRAFISH SNX25 PX DOMAIN
Descriptor:Cellular trafficking protein, SODIUM ION, CHLORIDE ION
Authors:Su, K., Zhang, Y., Xu, J., Liu, J.
Deposit date:2017-03-30
Release date:2017-06-14
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the PX domain of SNX25 reveals a novel phospholipid recognition model by dimerization in the PX domain
FEBS Lett., 591, 2017
6GW9
  • Download 6gw9
  • View 6gw9
Molmil generated image of 6gw9
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
  • Download 6gwa
  • View 6gwa
Molmil generated image of 6gwa
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
  • Download 6h0k
  • View 6h0k
Molmil generated image of 6h0k
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
  • Download 6h0l
  • View 6h0l
Molmil generated image of 6h0l
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
  • Download 3ml8
  • View 3ml8
Molmil generated image of 3ml8
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