4NMH
| 11-beta-HSD1 in complex with a 3,3-Di-methyl-azetidin-2-one | Descriptor: | (4S)-4-(2-methoxyphenyl)-3,3-dimethyl-1-[3-(methylsulfonyl)phenyl]azetidin-2-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McCoull, W, Augustin, M, Blake, C, Ertan, A, Kilgour, E.K, Krapp, S, Moore, J.E, Newcombe, N.J, Packer, M.J, Rees, A, Revill, J, Scott, J.S, Selmi, N, Gerhardt, S, Ogg, D.J, Steinbacher, S, Whittamore, P.R.O. | Deposit date: | 2013-11-15 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11-beta-HSD1) TO BE PUBLISHED
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5AFW
| Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | Authors: | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | Deposit date: | 2015-01-26 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation. Nat.Struct.Mol.Biol., 23, 2016
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8PFH
| Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10 | Descriptor: | CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ... | Authors: | Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T. | Deposit date: | 2023-06-16 | Release date: | 2023-12-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity. Commun Biol, 7, 2024
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2A58
| Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound riboflavin | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION, RIBOFLAVIN | Authors: | Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2005-06-30 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase Eur.J.Biochem., 271, 2004
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2A57
| Structure of 6,7-Dimthyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 6-carboxyethyl-7-oxo-8-ribityllumazine | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2005-06-30 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase Eur.J.Biochem., 271, 2004
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2A59
| Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 5-nitroso-6-ribitylamino-2,4(1H,3H)-pyrimidinedione | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION | Authors: | Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M. | Deposit date: | 2005-06-30 | Release date: | 2005-07-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase Eur.J.Biochem., 271, 2004
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4IWV
| Crystals structure of Human Glucokinase in complex with small molecule activator | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | Deposit date: | 2013-01-24 | Release date: | 2013-04-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published
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2XQB
| Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15 | Descriptor: | ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION | Authors: | Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R. | Deposit date: | 2010-09-01 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope. J.Mol.Biol., 406, 2011
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5O6M
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1JY8
| 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) | Descriptor: | 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ... | Authors: | Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F. | Deposit date: | 2001-09-11 | Release date: | 2002-01-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids. J.Mol.Biol., 316, 2002
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4HFR
| Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with an orally bioavailable acidic inhibitor AZD4017. | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {(3S)-1-[5-(cyclohexylcarbamoyl)-6-(propylsulfanyl)pyridin-2-yl]piperidin-3-yl}acetic acid | Authors: | Ogg, D.J, Gerhardt, S, Hargreaves, D. | Deposit date: | 2012-10-05 | Release date: | 2012-10-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of a Potent, Selective, and Orally Bioavailable Acidic 11 -Hydroxysteroid Dehydrogenase Type 1 (11 -HSD1) Inhibitor: Discovery of 2-[(3S)-1-[5-(Cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic Acid (AZD4017) J.Med.Chem., 55, 2012
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4IXC
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4L4Q
| Methionine Adenosyltransferase | Descriptor: | S-adenosylmethionine synthase | Authors: | Schlesier, J, Siegrist, J, Gerhardt, S, Andexer, J.N, Einsle, O. | Deposit date: | 2013-06-09 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis. Bmc Struct.Biol., 13, 2013
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4LZS
| Crystal Structure of BRD4(1) bound to inhibitor XD46 | Descriptor: | 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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6Q93
| MgADP-bound Fe protein of Vanadium nitrogenase from Azotobacter vinelandii | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | Authors: | Rohde, M, Gerhardt, S, Einsle, O. | Deposit date: | 2018-12-17 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of VnfH, the iron protein component of vanadium nitrogenase. J. Biol. Inorg. Chem., 23, 2018
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5D25
| First bromodomain of BRD4 bound to inhibitor XD27 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D24
| First bromodomain of BRD4 bound to inhibitor XD26 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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4LZR
| Crystal Structure of BRD4(1) bound to Colchicine | Descriptor: | Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide | Authors: | Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M. | Deposit date: | 2013-08-01 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
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5FFI
| [2Fe:2S] ferredoxin FeSII from Azotobacter vinelandii | Descriptor: | Dimeric (2Fe-2S) protein, FE2/S2 (INORGANIC) CLUSTER | Authors: | Schlesier, J, Rohde, M, Gerhardt, S, Einsle, O. | Deposit date: | 2015-12-18 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | A Conformational Switch Triggers Nitrogenase Protection from Oxygen Damage by Shethna Protein II (FeSII). J.Am.Chem.Soc., 138, 2016
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5G4K
| Phloroglucinol reductase from Clostridium sp. apo-form | Descriptor: | OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5G4L
| Phloroglucinol reductase from Clostridium sp. with bound NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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3JT1
| Legionella pneumophila glucosyltransferase Lgt1, UDP-bound form | Descriptor: | Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE | Authors: | Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O. | Deposit date: | 2009-09-11 | Release date: | 2010-02-02 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila. J.Mol.Biol., 2009
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3JSZ
| Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc | Descriptor: | MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O. | Deposit date: | 2009-09-11 | Release date: | 2010-02-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila. J.Mol.Biol., 2009
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4RIE
| Landomycin Glycosyltransferase LanGT2 | Descriptor: | Glycosyl transferase homolog | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.162 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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4RIF
| Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | Deposit date: | 2014-10-06 | Release date: | 2015-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2. Angew.Chem.Int.Ed.Engl., 54, 2015
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