1B06 | | SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS | | Descriptor: | PROTEIN (SUPEROXIDE DISMUTASE), FE (III) ION | | Authors: | Knapp, S., Kardinahl, S., Niklas, H., Tibbelin, G., Schafer, G., Ladenstein, R. | | Deposit date: | 1998-11-16 | | Release date: | 1999-11-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Refined crystal structure of a superoxide dismutase from the hyperthermophilic archaeon Sulfolobus acidocaldarius at 2.2 A resolution.
J.Mol.Biol., 285, 1999
|
|
1B26 | | GLUTAMATE DEHYDROGENASE | | Descriptor: | GLUTAMATE DEHYDROGENASE | | Authors: | Knapp, S., Devos, W.M., Rice, D., Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
|
|
1XWS | | CRYSTAL STRUCTURE OF THE HUMAN PIM1 KINASE DOMAIN | | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | | Authors: | Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K. | | Deposit date: | 2004-11-02 | | Release date: | 2004-11-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of human PIM1 kinase domain
To be Published
|
|
2BIK | | HUMAN PIM1 PHOSPHORYLATED ON SER261 | | Descriptor: | PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION | | Authors: | Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K. | | Deposit date: | 2005-01-22 | | Release date: | 2005-02-07 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Pim1 Phosphorylated on Ser261
To be Published
|
|
2BIL | | THE HUMAN PROTEIN KINASE PIM1 IN COMPLEX WITH ITS CONSENSUS PEPTIDE PIMTIDE | | Descriptor: | CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | | Authors: | Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K. | | Deposit date: | 2005-01-22 | | Release date: | 2005-02-07 | | Last modified: | 2019-10-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
|
|
1B3B | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S., Lebbink, J.H.G., Van Der Oost, J., Devos, W.M., Rice, D., Ladenstein, R. | | Deposit date: | 1998-12-07 | | Release date: | 1999-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
|
|
2TMG | | THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E | | Descriptor: | PROTEIN (GLUTAMATE DEHYDROGENASE) | | Authors: | Knapp, S., Lebbink, J.H.G., van der Oost, J., de Vos, W.M., Rice, D., Ladenstein, R. | | Deposit date: | 1998-12-04 | | Release date: | 1999-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.
J.Mol.Biol., 289, 1999
|
|
6QXK | | HUMAN PIM1 BOUND TO OX0999 | | Descriptor: | Serine/threonine-protein kinase pim-1, Pimtide, 2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one | | Authors: | Alexander, L.T., Elkins, J.M., Russell, A., Bountra, C., Edwards, A.M., Knapp, S. | | Deposit date: | 2019-03-07 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | PIM1 bound to OX0999
To Be Published
|
|
4C57 | | STRUCTURE OF GAK KINASE IN COMPLEX WITH A NANOBODY | | Descriptor: | Cyclin-G-associated kinase, NANOBODY, SULFATE ION, ... | | Authors: | Chaikuad, A., Keates, T., Krojer, T., Allerston, C.K., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
|
|
4C58 | | STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4) | | Descriptor: | Cyclin-G-associated kinase, nanobody, 1,2-ETHANEDIOL, ... | | Authors: | Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2019-02-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
|
|
4C59 | | STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4) | | Descriptor: | Cyclin-G-associated kinase, NANOBODY, (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME} | | Authors: | Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S. | | Deposit date: | 2013-09-10 | | Release date: | 2013-10-09 | | Last modified: | 2019-07-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
|
|
1BBX | | NON-SPECIFIC PROTEIN-DNA INTERACTIONS IN THE SSO7D-DNA COMPLEX, NMR, 1 STRUCTURE | | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*CP*GP*CP*GP*CP*TP*AP*G)-3'), DNA-BINDING PROTEIN 7D | | Authors: | Agback, P., Baumann, H., Knapp, S., Ladenstein, R., Hard, T. | | Deposit date: | 1998-04-24 | | Release date: | 1998-10-14 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Architecture of Nonspecific Protein-DNA Interactions in the Sso7D-DNA Complex
Nat.Struct.Biol., 5, 1998
|
|
1JAK | | STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE IN COMPLEX WITH (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINIUM CHLORIDE (IFG) | | Descriptor: | Beta-N-acetylhexosaminidase, SULFATE ION, CHLORIDE ION, ... | | Authors: | Mark, B.L., Vocadlo, D.J., Zhao, D., Knapp, S., Withers, S.G., James, M.N. | | Deposit date: | 2001-05-30 | | Release date: | 2001-11-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor.
J.Biol.Chem., 276, 2001
|
|
2YAK | | STRUCTURE OF DEATH-ASSOCIATED PROTEIN KINASE 1 (DAPK1) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OSV) | | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4 | | Authors: | Feng, L., Geisselbrecht, Y., Blanck, S., Wilbuer, A., Atilla-Gokcumen, G.E., Filippakopoulos, P., Kraeling, K., Celik, M.A., Harms, K., Maksimoska, J., Marmorstein, R., Frenking, G., Knapp, S., Essen, L.-O., Meggers, E. | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
|
|
3PUP | | STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA (GSK3B) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OS1) | | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | | Authors: | Filippakopoulos, P., Kraling, K., Essen, L.O., Meggers, E., Knapp, S. | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
|
|
1SSO | | SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS | | Descriptor: | SSO7D | | Authors: | Baumann, H., Knapp, S., Lundback, T., Ladenstein, R., Hard, T. | | Deposit date: | 1995-03-31 | | Release date: | 1995-05-08 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution structure and DNA-binding properties of a thermostable protein from the archaeon Sulfolobus solfataricus.
Nat.Struct.Biol., 1, 1994
|
|
4GPJ | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A ISOXAZOLYLBENZIMIDAZOLE LIGAND | | Descriptor: | Bromodomain-containing protein 4, (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, ... | | Authors: | Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Heightman, T.D., Brennan, P., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2012-08-21 | | Release date: | 2012-10-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET Bromodomains
TO BE PUBLISHED
|
|
4MEN | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND | | Descriptor: | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
|
|
4MEO | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-METHYL-QUINOLINE LIGAND | | Descriptor: | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide, ... | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
|
|
4MEP | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3-CHLORO-PYRIDONE LIGAND | | Descriptor: | Bromodomain-containing protein 4, 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
|
|
4MEQ | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND | | Descriptor: | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-08-27 | | Release date: | 2013-09-25 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
|
|
4MR3 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-OH) | | Descriptor: | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4MR4 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-208) | | Descriptor: | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4MR5 | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-OH) | | Descriptor: | Bromodomain-containing protein 2, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4MR6 | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-208) | | Descriptor: | Bromodomain-containing protein 2, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
