Author results

6NPT
  • Download 6npt
  • View 6npt
Molmil generated image of 6npt
TRK-A IN COMPLEX WITH LIGAND 1
Descriptor:High affinity nerve growth factor receptor, 4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
Authors:Subramanian, G.
Deposit date:2019-01-18
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NSP
  • Download 6nsp
  • View 6nsp
Molmil generated image of 6nsp
TRK-A IN COMPLEX WITH LIGAND 9
Descriptor:High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Authors:Subramanian, G., Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6NSS
  • Download 6nss
  • View 6nss
Molmil generated image of 6nss
TRK-A IN COMPLEX WITH LIGAND 6
Descriptor:High affinity nerve growth factor receptor, N-(8-methyl-2-phenylimidazo[1,2-a]pyrazin-3-yl)-2-(10H-phenoxazin-10-yl)acetamide
Authors:Subramanian, G., Brown, D.G.
Deposit date:2019-01-25
Release date:2019-05-22
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Deciphering the Allosteric Binding Mechanism of the Human Tropomyosin Receptor Kinase A ( hTrkA) Inhibitors.
Acs Chem.Biol., 14, 2019
6PL1
  • Download 6pl1
  • View 6pl1
Molmil generated image of 6pl1
TRK-A IN COMPLEX WITH LIGAND 1B
Descriptor:High affinity nerve growth factor receptor, N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-10-09
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead Identification and Characterization of hTrkA Type 2 Inhibitors
Bioorg.Med.Chem.Lett., 2019
6PL2
  • Download 6pl2
  • View 6pl2
Molmil generated image of 6pl2
TRK-A IN COMPLEX WITH LIGAND 1A
Descriptor:High affinity nerve growth factor receptor, N-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-2-{[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetamide
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-09-04
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
6PL3
  • Download 6pl3
  • View 6pl3
Molmil generated image of 6pl3
TRK-A IN COMPLEX WITH LIGAND 2A
Descriptor:High affinity nerve growth factor receptor, 2-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 4-(1H-tetrazol-1-yl)benzoate
Authors:Subramanian, G.
Deposit date:2019-06-30
Release date:2019-09-04
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Type 2 inhibitor leads of human tropomyosin receptor kinase (hTrkA).
Bioorg.Med.Chem.Lett., 29, 2019
5UVI
  • Download 5uvi
  • View 5uvi
Molmil generated image of 5uvi
SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, CHOLESTEROL, ...
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVJ
  • Download 5uvj
  • View 5uvj
Molmil generated image of 5uvj
SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Lysozyme C, CHLORIDE ION, SODIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
5UVK
  • Download 5uvk
  • View 5uvk
Molmil generated image of 5uvk
SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation
Iucrj, 4, 2017
5UVL
  • Download 5uvl
  • View 5uvl
Molmil generated image of 5uvl
SERIAL MILLISECOND CRYSTALLOGRAPHY OF MEMBRANE AND SOLUBLE PROTEIN MICRO-CRYSTALS USING SYNCHROTRON RADIATION
Descriptor:Proteinase K, NITRATE ION, CALCIUM ION
Authors:Martin-Garcia, J.M., Conrad, C.E., Nelson, G., Stander, N., Zatsepin, N.A., Zook, J., Zhu, L., Geiger, J., Chun, E., Kissick, D., Hilgart, M.C., Ogata, C., Ishchenko, A., Nagaratnam, N., Roy-Chowdhury, S., Coe, J., Subramanian, G., Schaffer, A., James, D., Ketawala, G., Venugopalan, N., Xu, S., Corcoran, S., Ferguson, D., Weierstall, U., Spence, J.C.H., Cherezov, V., Fromme, P., Fischetti, R.F., Liu, W.
Deposit date:2017-02-20
Release date:2017-05-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.
IUCrJ, 4, 2017
6MH6
  • Download 6mh6
  • View 6mh6
Molmil generated image of 6mh6
HIGH-VISCOSITY INJECTOR-BASED PINK BEAM SERIAL CRYSTALLOGRAPHY OF MICRO-CRYSTALS AT A SYNCHROTRON RADIATION SOURCE.
Descriptor:Proteinase K, CALCIUM ION, NITRATE ION
Authors:Martin-Garcia, J.M., Zhu, L., Mendez, D., Lee, M., Chun, E., Li, C., Hu, H., Subramanian, G., Kissick, D., Ogata, C., Henning, R., Ishchenko, A., Dobson, Z., Zhan, S., Weierstall, U., Spence, J.C.H., Fromme, P., Zatsepin, N.A., Fischetti, R.F., Cherezov, V., Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
6MH8
  • Download 6mh8
  • View 6mh8
Molmil generated image of 6mh8
HIGH-VISCOSITY INJECTOR-BASED PINK BEAM SERIAL CRYSTALLOGRAPHY OF MICRO-CRYSTALS AT A SYNCHROTRON RADIATION SOURCE
Descriptor:Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
Authors:Martin-Garcia, J.M., Zhu, L., Mendez, D., Lee, M., Chun, E., Li, C., Hu, H., Subramanian, G., Kissick, D., Ogata, C., Henning, R., Ishchenko, A., Dobson, Z., Zhan, S., Weierstall, U., Spence, J.C.H., Fromme, P., Zatsepin, N.A., Fischetti, R.F., Cherezov, V., Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
4YAB
  • Download 4yab
  • View 4yab
Molmil generated image of 4yab
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH 1-METHYL-5-(2-METHYL-1 3-THIAZOL-4-YL)-2 3-DIHYDRO-1H-INDOL-2-ONE (1)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
  • Download 4yad
  • View 4yad
Molmil generated image of 4yad
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH 2,4-DIMETHOXY-N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)BENZENE-1-SULFONAMIDE (3B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAT
  • Download 4yat
  • View 4yat
Molmil generated image of 4yat
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-(1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)-4-METHOXYBENZENE-1-SULFONAMIDE (5B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAX
  • Download 4yax
  • View 4yax
Molmil generated image of 4yax
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-[6-(4-METHOXYPHENOXY)-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL]BENZENESULFONAMIDE (5G)
Descriptor:Transcription intermediary factor 1-alpha, N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, ZINC ION, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
  • Download 4ybm
  • View 4ybm
Molmil generated image of 4ybm
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{6-[3-(BENZYLOXY)PHENOXY]-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-3,4-DIMETHOXYBENZENE-1-SULFONAMIDE (7B)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, GLYCEROL, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
  • Download 4ybs
  • View 4ybs
Molmil generated image of 4ybs
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{1,3-DIMETHYL-6-[3-(2-METHYLPROPOXY)PHENOXY]-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-1,2-DIMETHYL-1H-IMIDAZOLE-4-SULFONAMIDE (7G)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBT
  • Download 4ybt
  • View 4ybt
Molmil generated image of 4ybt
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-{1,3-DIMETHYL-2-OXO-6-[3-(OXOLAN-3-YLMETHOXY)PHENOXY]-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL}-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE (7L)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YC9
  • Download 4yc9
  • View 4yc9
Molmil generated image of 4yc9
CRYSTAL STRUCTURE OF TRIM24 PHD-BROMODOMAIN COMPLEXED WITH N-(6-{3-[4-(DIMETHYLAMINO)BUTOXY]-5-PROPOXYPHENOXY}-1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL)-3,4-DIMETHOXYBENZENE-1-SULFONAMIDE (8I)
Descriptor:Transcription intermediary factor 1-alpha, ZINC ION, GLYCEROL, ...
Authors:Poncet-Montange, G., Palmer, W., Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
5HD3
  • Download 5hd3
  • View 5hd3
Molmil generated image of 5hd3
FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: DARK STRUCTURE OF PHOTOACTIVE YELLOW PROTEIN
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-18
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HD5
  • Download 5hd5
  • View 5hd5
Molmil generated image of 5hd5
FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 200 NS TIME DELAY PHOTO-ACTIVATED (LIGHT) STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-04
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDC
  • Download 5hdc
  • View 5hdc
Molmil generated image of 5hdc
FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 100 FS TO 400 FS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDD
  • Download 5hdd
  • View 5hdd
Molmil generated image of 5hdd
FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 800 FS TO 1200 FS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDS
  • Download 5hds
  • View 5hds
Molmil generated image of 5hds
FEMTOSECOND STRUCTURAL DYNAMICS DRIVES THE TRANS/CIS ISOMERIZATION IN PHOTOACTIVE YELLOW PROTEIN: 3 PS STRUCTURE
Descriptor:Photoactive yellow protein
Authors:Pande, K., Tenboer, J., Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
<12>