Author results

6HKM
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CRYSTAL STRUCTURE OF COMPOUND 1 WITH ERK5
Descriptor:Mitogen-activated protein kinase 7, [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
Authors:Nguyen, D., Lemos, C., Wortmann, L., Eis, K., Holton, S.J., Boemer, U., Lechner, C., Prechtl, S., Suelze, D., Siegel, F., Prinz, F., Lesche, R., Nicke, B., Mumberg, D., Bauser, M., Haegebarth, A.
Deposit date:2018-09-07
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
6HKN
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CRYSTAL STRUCTURE OF COMPOUND 35 WITH ERK5
Descriptor:Mitogen-activated protein kinase 7, [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
Authors:Nguyen, D., Lemos, C., Wortmann, L., Eis, K., Holton, S.J., Boemer, U., Lechner, C., Prechtl, S., Suelze, D., Siegel, F., Prinz, F., Lesche, R., Nicke, B., Mumberg, D., Bauser, M., Haegebarth, A.
Deposit date:2018-09-07
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
5JLW
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ANTPHD WITH 15BP DNA DUPLEX R-MONOTHIOATED AT CYTIDINE-8
Descriptor:Homeotic protein antennapedia, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7R)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
Authors:White, M.A., Zandarashvili, L., Iwahara, J., Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.088 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
5JLX
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ANTPHD WITH 15BP DNA DUPLEX S-MONOTHIOATED AT CYTIDINE-8
Descriptor:Homeotic protein antennapedia, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C7S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
Authors:White, M.A., Zandarashvili, L., Iwahara, J., Nguyen, D.
Deposit date:2016-04-27
Release date:2016-06-22
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.748 Å)
Cite:Stereospecific Effects of Oxygen-to-Sulfur Substitution in DNA Phosphate on Ion Pair Dynamics and Protein-DNA Affinity.
Chembiochem, 17, 2016
1HA9
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SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR MCOTI-II, NMR, 30 STRUCTURES.
Descriptor:TRYPSIN INHIBITOR II
Authors:Heitz, A., Hernandez, J.-F., Gagnon, J., Hong, T.T., Pham, T.T.C., Nguyen, T.M., Le-Nguyen, D., Chiche, L.
Deposit date:2001-04-02
Release date:2001-04-12
Last modified:2012-11-30
Method:SOLUTION NMR
Cite:Solution Structure of the Squash Trypsin Inhibitor Mcoti-II. A New Family for Cyclic Knottins
Biochemistry, 40, 2001
1Y81
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CONSERVED HYPOTHETICAL PROTEIN PFU-723267-001 FROM PYROCOCCUS FURIOSUS
Descriptor:conserved hypothetical protein, THIOCYANATE ION, COENZYME A, ...
Authors:Zhao, M., Chang, J., Habel, J., Xu, H., Chen, L., Lee, D., Nguyen, D., Chang, S.-H., Horanyi, P., Florence, Q., Tempel, W., Zhou, W., Lin, D., Zhang, H., Praissman, J., Jenney Jr., F.E., Adams, M.W.W., Liu, Z.-J., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
1Y82
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CONSERVED HYPOTHETICAL PROTEIN PFU-367848-001 FROM PYROCOCCUS FURIOSUS
Descriptor:hypothetical protein, UNKNOWN ATOM OR ION
Authors:Horanyi, P., Tempel, W., Habel, J., Chen, L., Lee, D., Nguyen, D., Chang, S.-H., Florence, Q., Zhou, W., Lin, D., Zhang, H., Praissman, J., Jenney Jr., F.E., Adams, M.W.W., Liu, Z.-J., Rose, J.P., Wang, B.C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
1YB3
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CONSERVED HYPOTHETICAL PROTEIN PFU-178653-001 FROM PYROCOCCUS FURIOSUS
Descriptor:hypothetical protein, UNKNOWN ATOM OR ION
Authors:Habel, J., Zhou, W., Chang, J., Zhao, M., Xu, H., Chen, L., Lee, D., Nguyen, D., Chang, S.-H., Horanyi, P., Florence, Q., Tempel, W., Lin, D., Zhang, H., Praissman, J., Jenney Jr., F.E., Adams, M.W.W., Liu, Z.-J., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-19
Release date:2005-02-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conserved hypothetical protein Pfu-178653-001 from Pyrococcus furiosus
To be published
1YBZ
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CONSERVED HYPOTHETICAL PROTEIN FROM PYROCOCCUS FURIOSUS PFU-1581948-001
Descriptor:chorismate mutase, UNKNOWN ATOM OR ION
Authors:Lee, D., Chen, L., Nguyen, D., Dillard, B.D., Tempel, W., Habel, J., Zhou, W., Chang, S.-H., Kelley, L.-L.C., Liu, Z.-J., Lin, D., Zhang, H., Praissman, J., Bridger, S., Eneh, J.C., Hopkins, R.C., Jenney Jr., F.E., Lee, H.-S., Li, T., Poole II, F.L., Shah, C., Sugar, F.J., Adams, M.W.W., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-21
Release date:2005-02-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
1YCY
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CONSERVED HYPOTHETICAL PROTEIN PFU-1806301-001 FROM PYROCOCCUS FURIOSUS
Descriptor:Conserved hypothetical protein
Authors:Huang, L., Liu, Z.-J., Lee, D., Tempel, W., Chang, J., Zhao, M., Habel, J., Xu, H., Chen, L., Nguyen, D., Chang, S.-H., Horanyi, P., Florence, Q., Zhou, W., Lin, D., Zhang, H., Praissman, J., Jenney Jr., F.E., Adams, M.W.W., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-23
Release date:2005-02-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conserved hypothetical protein Pfu-1806301-001 from Pyrococcus furiosus
To be published
1YD7
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CONSERVED HYPOTHETICAL PROTEIN PFU-1647980-001 FROM PYROCOCCUS FURIOSUS
Descriptor:2-keto acid:ferredoxin oxidoreductase subunit alpha, UNKNOWN ATOM OR ION
Authors:Horanyi, P., Florence, Q., Zhou, W., Chang, J., Zhao, M., Habel, J., Xu, H., Chen, L., Lee, D., Nguyen, D., Chang, S.-H., Tempel, W., Lin, D., Zhang, H., Praissman, J., Jenney Jr., F.E., Adams, M.W.W., Liu, Z.-J., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-23
Release date:2005-02-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conserved hypothetical protein Pfu-1647980-001 from Pyrococcus furiosus
To be published
2IT7
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SOLUTION STRUCTURE OF THE SQUASH TRYPSIN INHIBITOR EETI-II
Descriptor:Trypsin inhibitor 2
Authors:Chiche, L., Heitz, A., Le-Nguyen, D.
Deposit date:2006-10-19
Release date:2007-10-02
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Knottin cyclization: Structure and stability of cyclic and linear squash inhibitors do not differ significantly
To be Published
1XX7
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CONSERVED HYPOTHETICAL PROTEIN FROM PYROCOCCUS FURIOSUS PFU-403030-001
Descriptor:oxetanocin-like protein, NICKEL (II) ION, UNKNOWN ATOM OR ION
Authors:Chen, L., Tempel, W., Habel, J., Zhou, W., Nguyen, D., Chang, S.-H., Lee, D., Kelley, L.-L.C., Dillard, B.D., Liu, Z.-J., Bridger, S., Eneh, J.C., Hopkins, R.C., Jenney Jr, F.E., Lee, H.-S., Li, T., Poole II, F.L., Shah, C., Sugar, F.J., Adams, M.W.W., Arendall III, W.B., Richardson, J.S., Richardson, D.C., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-11-04
Release date:2004-12-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:Conserved hypothetical protein from Pyrococcus furiosus Pfu-403030-001
To be published
1Y80
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STRUCTURE OF A CORRINOID (FACTOR IIIM)-BINDING PROTEIN FROM MOORELLA THERMOACETICA
Descriptor:Predicted cobalamin binding protein, CO-5-METHOXYBENZIMIDAZOLYLCOBAMIDE, UNKNOWN ATOM OR ION
Authors:Liu, Z.-J., Fu, Z.-Q., Tempel, W., Das, A., Habel, J., Zhou, W., Chang, J., Chen, L., Lee, D., Nguyen, D., Chang, S.-H., Ljungdahl, L., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-12-10
Release date:2005-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica
To be published
1ZTD
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HYPOTHETICAL PROTEIN PFU-631545-001 FROM PYROCOCCUS FURIOSUS
Descriptor:Hypothetical Protein Pfu-631545-001
Authors:Fu, Z.-Q., Horanyi, P., Florence, Q., Liu, Z.-J., Chen, L., Lee, D., Habel, J., Xu, H., Nguyen, D., Chang, S.-H., Zhou, W., Zhang, H., Jenney Jr., F.E., Sha, B., Adams, M.W.W., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2005-05-26
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hypothetical Protein Pfu-631545-001 From Pyrococcus furiosus
To be Published
2FZF
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HYPOTHETICAL PROTEIN PFU-1136390-001 FROM PYROCOCCUS FURIOSUS
Descriptor:hypothetical protein
Authors:Fu, Z.-Q., Liu, Z.-J., Lee, D., Kelley, L., Chen, L., Tempel, W., Shah, N., Horanyi, P., Lee, H.S., Habel, J., Dillard, B.D., Nguyen, D., Chang, S.-H., Zhang, H., Chang, J., Sugar, F.J., Poole, F.L., Jenney Jr., F.E., Adams, M.W.W., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2006-02-09
Release date:2006-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus
To be published
2PX7
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CRYSTAL STRUCTURE OF 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE FROM THERMUS THERMOPHILUS HB8
Descriptor:2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Chen, L., Tsukuda, M., Ebihara, A., Shinkai, A., Kuramitsu, S., Yokoyama, S., Chen, L.-Q., Liu, Z.-J., Lee, D., Chang, S.-H., Nguyen, D., Rose, J.P., Wang, B.-C., Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-14
Release date:2007-06-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Thermus thermophilus HB8.
To be Published
1MGY
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STRUCTURE OF THE D85S MUTANT OF BACTERIORHODOPSIN WITH BROMIDE BOUND
Descriptor:Bacteriorhodopsin, BROMIDE ION, POTASSIUM ION, ...
Authors:Facciotti, M.T., Cheung, V.S., Nguyen, D., Rouhani, S., Glaeser, R.M.
Deposit date:2002-08-16
Release date:2003-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Bromide-Bound D85S Mutant of Bacteriorhodopsin: Principles of Ion Pumping
Biophys.J., 85, 2003
1A3D
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PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM
Descriptor:PHOSPHOLIPASE A2, SODIUM ION
Authors:Segelke, B.W., Nguyen, D., Chee, R., Xuong, H.N., Dennis, E.A.
Deposit date:1998-01-20
Release date:1998-04-29
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
1A3F
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PHOSPHOLIPASE A2 (PLA2) FROM NAJA NAJA VENOM
Descriptor:PHOSPHOLIPASE A2
Authors:Segelke, B.W., Nguyen, D., Chee, R., Xuong, H.N., Dennis, E.A.
Deposit date:1998-01-21
Release date:1998-04-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structures of two novel crystal forms of Naja naja naja phospholipase A2 lacking Ca2+ reveal trimeric packing.
J.Mol.Biol., 279, 1998
2JBO
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PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, PHOSPHATE ION, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis for a High Affinity Inhibitor Bound to Protein Kinase Mk2.
J.Mol.Biol., 369, 2007
2JBP
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PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-2, CO- CRYSTALLIZATION)
Descriptor:MAP KINASE-ACTIVATED PROTEIN KINASE 2, 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Authors:Hillig, R.C., Eberspaecher, U., Monteclaro, F., Huber, M., Nguyen, D., Mengel, A., Muller-Tiemann, B., Egner, U.
Deposit date:2006-12-09
Release date:2007-03-20
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structural basis for a high affinity inhibitor bound to protein kinase MK2.
J. Mol. Biol., 369, 2007
2XIX
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PROTEIN KINASE PIM-1 IN COMPLEX WITH FRAGMENT-1 FROM CRYSTALLOGRAPHIC FRAGMENT SCREEN
Descriptor:PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE
Authors:Schulz, M.N., Fanghanel, J., Schafer, M., Badock, V., Briem, H., Boemer, U., Nguyen, D., Husemann, M., Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIY
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PROTEIN KINASE PIM-1 IN COMPLEX WITH FRAGMENT-2 FROM CRYSTALLOGRAPHIC FRAGMENT SCREEN
Descriptor:PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1, 2-HYDROXYMETHYL-BENZOIMIDAZOLE, DIMETHYL SULFOXIDE, ...
Authors:Schulz, M.N., Fanghanel, J., Schafer, M., Badock, V., Briem, H., Boemer, U., Nguyen, D., Husemann, M., Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
2XIZ
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PROTEIN KINASE PIM-1 IN COMPLEX WITH FRAGMENT-3 FROM CRYSTALLOGRAPHIC FRAGMENT SCREEN
Descriptor:PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1, (E)-PYRIDIN-4-YL-ACRYLIC ACID
Authors:Schulz, M.N., Fanghanel, J., Schafer, M., Badock, V., Briem, H., Boemer, U., Nguyen, D., Husemann, M., Hillig, R.C.
Deposit date:2010-07-01
Release date:2011-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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