Author results

4AUA
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LIGANDED X-RAY CRYSTAL STRUCTURE OF CYCLIN DEPENDENT KINASE 6 (CDK6)
Descriptor:CYCLIN-DEPENDENT KINASE 6, 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone
Authors:Cho, Y.S., Angove, H., Brain, C., Chen, C.H.T., Cheng, R., Chopra, R., Chung, K., Congreve, M., Dagostin, C., Davis, D., Feltell, R., Giraldes, J., Hiscock, S., Kim, S., Kovats, S., Lagu, B., Lewry, K., Loo, A., Lu, Y., Luzzio, M., Maniara, W., Mcmenamin, R., Mortenson, P., Benning, R., O'Reilly, M., Rees, D., Shen, J., Smith, T., Wang, Y., Williams, G., Woolford, A., Wrona, W., Xu, M., Yang, F., Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
5NLX
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A2A ADENOSINE RECEPTOR ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, OLEIC ACID, SODIUM ION, ...
Authors:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Dore, A.S., Geng, T., Cooke, R., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM2
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A2A ADENOSINE RECEPTOR CRYO STRUCTURE
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, SODIUM ION, 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:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Dore, A.S., Geng, T., Cooke, R., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
3RVB
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THE STRUCTURE OF HCV NS3 HELICASE (HELI-80) BOUND WITH INHIBITOR ITMN-3479
Descriptor:RNA helicase, {1-[(5-chloro-2-methyl-1-benzothiophen-3-yl)methyl]-6-(3,5-diaminophenyl)-1H-indol-3-yl}acetic acid, MAGNESIUM ION, ...
Authors:Mather, O., Cheng, R., Schonfield, D., Barker, J.
Deposit date:2011-05-06
Release date:2014-09-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of HCV NS3 helicase with inhibitor ITMN-3479
To be Published
5NM4
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A2A ADENOSINE RECEPTOR ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL FEMTOSECOND CRYSTALLOGRAPHY
Descriptor:Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, OLEIC ACID, SODIUM ION, ...
Authors:Weinert, T., Cheng, R., James, D., Gashi, D., Nogly, P., Jaeger, K., Hennig, M., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5YM0
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THE CRYSTAL STRUCTURE OF DHAD
Descriptor:Dihydroxy-acid dehydratase, chloroplastic, SULFATE ION
Authors:Zang, X., Huang, W.X., Cheng, R., Wu, L., Zhou, J.H., Tang, Y., Yan, Y.
Deposit date:2017-10-20
Release date:2018-10-24
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:The crystal structure of DHAD
To Be Published
3FHR
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HIGH RESOLUTION CRYSTAL STRUCTURE OF MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE 3 (MK3)-INHIBITOR COMPLEX
Descriptor:MAP kinase-activated protein kinase 3, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Cheng, R.K.Y., Barker, J., Palan, S., Felicetti, B., Whittaker, M., Hesterkamp, T.
Deposit date:2008-12-10
Release date:2009-12-15
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand
Protein Sci., 19, 2010
4EZ5
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CDK6 (MONOMERIC) IN COMPLEX WITH INHIBITOR
Descriptor:Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
Authors:Chopra, R., Xu, M.
Deposit date:2012-05-02
Release date:2013-02-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
6GPX
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CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Descriptor:C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, ZINC ION, OLEIC ACID, ...
Authors:Pautsch, A., Schnapp, G., Cheng, R., Apel, A.
Deposit date:2018-06-07
Release date:2019-01-02
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
4WXP
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X-RAY CRYSTAL STRUCTURE OF NS3 HELICASE FROM HCV WITH A BOUND FRAGMENT INHIBITOR AT 2.08 A RESOLUTION
Descriptor:NS3-4 protease, SODIUM ION, CHLORIDE ION, ...
Authors:Davies, D.R.
Deposit date:2014-11-14
Release date:2015-12-23
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
4WXR
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X-RAY CRYSTAL STRUCTURE OF NS3 HELICASE FROM HCV WITH A BOUND INHIBITOR AT 2.42 A RESOLUTION
Descriptor:NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
Authors:Davies, D.R., Kim, H., Lorimer, D.
Deposit date:2014-11-14
Release date:2015-12-23
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
5NJM
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LYSOZYME ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Lysozyme C
Authors:Weinert, T., Vera, L., Marsh, M., James, D., Gashi, D., Nogly, P., Jaeger, K., Standfuss, J.
Deposit date:2017-03-29
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM5
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TUBULIN DARPIN ROOM-TEMPERATURE STRUCTURE IN COMPLEX WITH COLCHICINE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-05
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQT
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TUBULIN DARPIN ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-21
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQU
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TUBULIN DARPIN CRYO STRUCTURE
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
Authors:Weinert, T., Olieric, N., James, D., Gashi, D., Nogly, P., Jaeger, K., Steinmetz, M.O., Standfuss, J.
Deposit date:2017-04-21
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O5W
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MOLYBDENUM STORAGE PROTEIN ROOM-TEMPERATURE STRUCTURE DETERMINED BY SERIAL MILLISECOND CRYSTALLOGRAPHY
Descriptor:Molybdenum storage protein subunit alpha, Molybdenum storage protein subunit beta, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Steffen, B., Weinert, T., Ermler, U., Standfuss, J.
Deposit date:2017-06-02
Release date:2017-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5Z0Q
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CRYSTAL STRUCTURE OF OVOB
Descriptor:Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
Authors:Cai, Y.J., Huang, P., Wu, L., Zhou, J.H., Liu, P.H.
Deposit date:2017-12-20
Release date:2018-11-07
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018