1KY9 | | CRYSTAL STRUCTURE OF DEGP (HTRA) | | Descriptor: | PROTEASE DO | | Authors: | Krojer, T., Garrido-Franco, M., Huber, R., Ehrmann, M., Clausen, T. | | Deposit date: | 2002-02-04 | | Release date: | 2002-04-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of DegP (HtrA) reveals a new protease-chaperone machine.
Nature, 416, 2002
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3CS0 | | CRYSTAL STRUCTURE OF DEGP24 | | Descriptor: | Protease do, pentapeptide | | Authors: | Krojer, T., Sawa, J., Schaefer, E., Saibil, H.R., Ehrmann, M., Clausen, T. | | Deposit date: | 2008-04-08 | | Release date: | 2008-05-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the regulated protease and chaperone function of DegP
Nature, 453, 2008
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3MH4 | |
3MH5 | | HTRA PROTEASES ARE ACTIVATED BY A CONSERVED MECHANISM THAT CAN BE TRIGGERED BY DISTINCT MOLECULAR CUES | | Descriptor: | Protease do, DIISOPROPYL PHOSPHONATE | | Authors: | Krojer, T., Sawa, J., Huber, R., Clausen, T. | | Deposit date: | 2010-04-07 | | Release date: | 2010-06-30 | | Last modified: | 2014-03-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues
Nat.Struct.Mol.Biol., 17, 2010
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3MH6 | | HTRA PROTEASES ARE ACTIVATED BY A CONSERVED MECHANISM THAT CAN BE TRIGGERED BY DISTINCT MOLECULAR CUES | | Descriptor: | Protease do, DIISOPROPYL PHOSPHONATE | | Authors: | Krojer, T., Sawa, J., Huber, R., Clausen, T. | | Deposit date: | 2010-04-07 | | Release date: | 2010-06-30 | | Last modified: | 2014-03-05 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues
Nat.Struct.Mol.Biol., 17, 2010
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3MH7 | | HTRA PROTEASES ARE ACTIVATED BY A CONSERVED MECHANISM THAT CAN BE TRIGGERED BY DISTINCT MOLECULAR CUES | | Descriptor: | Protease do, 5-mer peptide | | Authors: | Krojer, T., Sawa, J., Huber, R., Clausen, T. | | Deposit date: | 2010-04-07 | | Release date: | 2010-06-30 | | Last modified: | 2014-03-05 | | Method: | X-RAY DIFFRACTION (2.961 Å) | | Cite: | HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues
Nat.Struct.Mol.Biol., 17, 2010
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3MTL | | CRYSTAL STRUCTURE OF THE PCTAIRE1 KINASE IN COMPLEX WITH INDIRUBIN E804 | | Descriptor: | Cell division protein kinase 16, (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME} | | Authors: | Krojer, T., Sharpe, T.D., Roos, A., Savitsky, P., Amos, A., Ayinampudi, V., Berridge, G., Fedorov, O., Keates, T., Phillips, C., Burgess-Brown, N., Zhang, Y., Pike, A.C.W., Muniz, J., Vollmar, M., Thangaratnarajah, C., Rellos, P., Ugochukwu, E., Filippakopoulos, P., Yue, W., Das, S., von Delft, F., Edwards, A., Arrowsmith, C.H., Weigelt, J., Bountra, C., Knapp, S., Bullock, A., Structural Genomics Consortium (SGC) | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804
to be published
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3O2G | | CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE DIOXYGENASE 1 (BBOX1) | | Descriptor: | Gamma-butyrobetaine dioxygenase, ZINC ION, N-OXALYLGLYCINE, ... | | Authors: | Krojer, T., Kochan, G., McDonough, M.A., von Delft, F., Leung, I.K.H., Henry, L., Claridge, T.D.W., Pilka, E., Ugochukwu, E., Muniz, J., Filippakopoulos, P., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K.L., Schofield, C.J., Oppermann, U., Structural Genomics Consortium (SGC) | | Deposit date: | 2010-07-22 | | Release date: | 2010-09-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of Human gamma-butyrobetaine,2-oxoglutarate dioxygenase 1 (BBOX1)
To be Published
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3OOY | | CRYSTAL STRUCTURE OF HUMAN TRANSKETOLASE (TKT) | | Descriptor: | Transketolase, THIAMIN DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Krojer, T., Krysztofinska, E., Guo, K., Pilka, E., Kochan, G., Chaikuad, A., Vollmar, M., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Kavanagh, K., Oppermann, U., Structural Genomics Consortium (SGC) | | Deposit date: | 2010-08-31 | | Release date: | 2010-11-17 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of human Transketolase (TKT)
To be Published
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4D6Q | | CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH 2,4-PDCA | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ... | | Authors: | Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2014-11-14 | | Release date: | 2014-12-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.292 Å) | | Cite: | Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
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4D6R | | CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH N-OXALYLGLYCINE AND BOUND O-TOLUENESULFONAMIDE | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ... | | Authors: | Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2014-11-14 | | Release date: | 2014-12-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published
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4D6S | | CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH N-OXALYLGLYCINE AND BOUND 5,6-DIMETHYLBENZIMIDAZOLE | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ... | | Authors: | Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2014-11-14 | | Release date: | 2014-12-24 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound 5,6- Dimethylbenzimidazole
To be Published
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4DIP | | CRYSTAL STRUCTURE OF HUMAN PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP14 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP14, SODIUM ION, PHOSPHATE ION | | Authors: | Krojer, T., Kiyani, W., Goubin, S., Muniz, J.R.C., Filippakopoulos, P., Arrowsmith, C.H., Edwards, A., Bountra, C., von Delft, F., Oppermann, U., Zschocke, J., Yue, W.W., Structural Genomics Consortium (SGC) | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14
To be Published
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5APA | | CRYSTAL STRUCTURE OF HUMAN ASPARTATE BETA-HYDROXYLASE ISOFORM A | | Descriptor: | ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, NICKEL (II) ION, (2S)-2-hydroxybutanedioic acid, ... | | Authors: | Krojer, T., Kochan, G., Pfeffer, I., McDonough, M.A., Pilka, E., Hozjan, V., Allerston, C., Muniz, J.R., Chaikuad, A., Gileadi, O., Kavanagh, K., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Oppermann, U. | | Deposit date: | 2015-09-15 | | Release date: | 2015-09-23 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal Structure of Human Aspartate Beta- Hydroxylase Isoform A
To be Published
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5CLT | | CRYSTAL STRUCTURE OF HUMAN GLYCOGEN BRANCHING ENZYME (GBE1) IN COMPLEX WITH ACARBOSE | | Descriptor: | 1,4-alpha-glucan-branching enzyme, ALPHA-ACARBOSE | | Authors: | Krojer, T., Froese, D.S., Goubin, S., Strain-Damerell, C., Mahajan, P., Burgess-Brown, N., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Yue, W., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-16 | | Release date: | 2015-08-12 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal structure of human glycogen branching enzyme (GBE1) in complex with acarbose
To be published
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5CLW | | CRYSTAL STRUCTURE OF HUMAN GLYCOGEN BRANCHING ENZYME (GBE1) IN COMPLEX WITH MALTOHEPTAOSE | | Descriptor: | 1,4-alpha-glucan-branching enzyme, ALPHA-D-GLUCOSE, SODIUM ION | | Authors: | Krojer, T., Froese, D.S., Goubin, S., Strain-Damerell, C., Mahajan, P., Burgess-Brown, N., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Yue, W., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-16 | | Release date: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of human glycogen branching enzyme (GBE1) in complex with maltoheptaose
To be published
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5MQ4 | | CRYSTAL STRUCTURE OF THE LEUCINE ZIPPER OF HUMAN PRKCBP1 | | Descriptor: | Protein kinase C-binding protein 1, SULFATE ION, ZINC ION | | Authors: | Krojer, T., Savitsky, P., Picaud, S., Newman, J., Tallant, C., Heroven, C., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Filippakopoulos, P. | | Deposit date: | 2016-12-20 | | Release date: | 2017-01-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of the leucine zipper of human PRKCBP1
To Be Published
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4COS | | CRYSTAL STRUCTURE OF THE PHD-BROMO-PWWP CASSETTE OF HUMAN PRKCBP1 | | Descriptor: | PROTEIN KINASE C-BINDING PROTEIN 1, ZINC ION, 1,4-DIETHYLENE DIOXIDE | | Authors: | Krojer, T., Savitsky, P., Newman, J.A., Cooper, C.D.O., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Filippakopoulos, P. | | Deposit date: | 2014-01-30 | | Release date: | 2014-03-05 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Multivalent Histone and DNA Engagement by a PHD/BRD/PWWP Triple Reader Cassette Recruits ZMYND8 to K14ac-Rich Chromatin.
Cell Rep, 17, 2016
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2XDV | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF FLJ14393 | | Descriptor: | MYC-INDUCED NUCLEAR ANTIGEN, N-OXALYLGLYCINE, NICKEL (II) ION, ... | | Authors: | Krojer, T., Muniz, J.R.C., Ng, S.S., Pilka, E., Guo, K., Pike, A.C.W., Filippakopoulos, P., Knapp, S., Kavanagh, K.L., Gileadi, O., Bunkoczi, G., Yue, W.W., Niesen, F., Sobott, F., Fedorov, O., Savitsky, P., Kochan, G., Daniel, M., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Oppermann, U. | | Deposit date: | 2010-05-07 | | Release date: | 2010-05-26 | | Last modified: | 2018-02-21 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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3K2O | | STRUCTURE OF AN OXYGENASE | | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, NICKEL (II) ION, SODIUM ION, ... | | Authors: | Krojer, T., McDonough, M.A., Clifton, I.J., Mantri, M., Ng, S.S., Pike, A.C.W., Butler, D.S., Webby, C.J., Kochan, G., Bhatia, C., Bray, J.E., Chaikuad, A., Gileadi, O., von Delft, F., Weigelt, J., Arrowsmith, C.H., Bountra, C., Edwards, A.M., Schofield, C.J., Kavanagh, K.L., Oppermann, U., Structural Genomics Consortium (SGC) | | Deposit date: | 2009-09-30 | | Release date: | 2009-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal Structure of the 2-Oxoglutarate- and Fe(II)-Dependent Lysyl Hydroxylase JMJD6.
J.Mol.Biol., 401, 2010
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3SOM | | CRYSTAL STRUCTURE OF HUMAN MMACHC | | Descriptor: | Methylmalonic aciduria and homocystinuria type C protein, COBALAMIN, CITRATE ANION, ... | | Authors: | Krojer, T., Froese, D.S., von Delft, F., Muniz, J.R., Gileadi, C., Vollmar, M., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Gravel, R.A., Yue, W.W., Oppermann, U., Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-30 | | Release date: | 2011-07-27 | | Last modified: | 2015-04-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Biochemistry, 51, 2012
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4CRI | | CRYSTAL STRUCTURE OF 53BP1 TANDEM TUDOR DOMAINS IN COMPLEX WITH METHYLATED K810 RB PEPTIDE | | Descriptor: | TUMOR SUPPRESSOR P53-BINDING PROTEIN 1, RB1 PROTEIN | | Authors: | Krojer, T., Johansson, C., Gileadi, C., Fedorov, O., Carr, S., La Thangue, N.B., Vollmar, M., Crawley, L., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U. | | Deposit date: | 2014-02-26 | | Release date: | 2014-08-06 | | Last modified: | 2014-08-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4URA | | CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 14A | | Descriptor: | LYSINE-SPECIFIC DEMETHYLASE 4A, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Krojer, T., England, K.S., Vollmar, M., Crawley, L., Williams, E., Riesebos, E., Szykowska, A., Burgess-Brown, N., Oppermann, U., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F. | | Deposit date: | 2014-06-27 | | Release date: | 2015-06-17 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
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5ENB | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH O-TOLYLTHIOUREA (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 1-(2-methylphenyl)thiourea, 1,2-ETHANEDIOL | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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5ENC | | CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF PLECKSTRIN HOMOLOGY DOMAIN INTERACTING PROTEIN (PHIP) IN COMPLEX WITH N-(2,6-DICHLOROBENZYL)ACETAMIDE (SGC - DIAMOND I04-1 FRAGMENT SCREENING) | | Descriptor: | PH-interacting protein, 1,2-ETHANEDIOL, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | | Authors: | Krojer, T., Talon, R., Collins, P., Bradley, A., Cox, O., Szykowska, A., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F., Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2018-07-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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