5DY5
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![BU of 5dy5 by Molmil](/molmil-images/mine/5dy5) | Crystal structure of human Sirt2 in complex with a SirReal probe fragment | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-09-24 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Development of an Affinity Probe for Sirtuin 2. Angew.Chem.Int.Ed.Engl., 55, 2016
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4HFR
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![BU of 4hfr by Molmil](/molmil-images/mine/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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5G4K
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![BU of 5g4k by Molmil](/molmil-images/mine/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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5DY4
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![BU of 5dy4 by Molmil](/molmil-images/mine/5dy4) | Crystal structure of human Sirt2 in complex with a brominated 2nd generation SirReal inhibitor and NAD+ | Descriptor: | N-{5-[(7-bromonaphthalen-1-yl)methyl]-1,3-thiazol-2-yl}-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-09-24 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study. J.Med.Chem., 59, 2016
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5G4L
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![BU of 5g4l by Molmil](/molmil-images/mine/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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5FFI
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![BU of 5ffi by Molmil](/molmil-images/mine/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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5D7N
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![BU of 5d7n by Molmil](/molmil-images/mine/5d7n) | Crystal structure of human Sirt3 at an improved resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7O
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![BU of 5d7o by Molmil](/molmil-images/mine/5d7o) | Crystal structure of Sirt2-ADPR at an improved resolution | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, TRIETHYLENE GLYCOL, ZINC ION, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7P
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![BU of 5d7p by Molmil](/molmil-images/mine/5d7p) | Crystal structure of human Sirt2 in complex with ADPR and EX-243 | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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5D7Q
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![BU of 5d7q by Molmil](/molmil-images/mine/5d7q) | Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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4A7B
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![BU of 4a7b by Molmil](/molmil-images/mine/4a7b) | |
4OQY
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![BU of 4oqy by Molmil](/molmil-images/mine/4oqy) | Streptomyces sp. GF3546 imine reductase | Descriptor: | (S)-imine reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | Deposit date: | 2014-02-10 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. CHEMCATCHEM, 2014
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4OQZ
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![BU of 4oqz by Molmil](/molmil-images/mine/4oqz) | Streptomyces aurantiacus imine reductase | Descriptor: | Putative oxidoreductase YfjR | Authors: | Schneider, L.K, Huber, T, Gerhardt, S, Muller, M, Einsle, O. | Deposit date: | 2014-02-10 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Direct Reductive Amination of Ketones: Structure and Activity of S-Selective Imine Reductases from Streptomyces. CHEMCATCHEM, 2014
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4P38
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![BU of 4p38 by Molmil](/molmil-images/mine/4p38) | Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329 | Descriptor: | 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | Authors: | Ogg, D, Hargreaves, D, Gerhardt, S. | Deposit date: | 2014-03-06 | Release date: | 2014-04-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). J.Med.Chem., 55, 2012
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4RIE
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![BU of 4rie by Molmil](/molmil-images/mine/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
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![BU of 4rif by Molmil](/molmil-images/mine/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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4RIG
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![BU of 4rig by Molmil](/molmil-images/mine/4rig) | Chimeric Glycosyltransferase LanGT2S8Ac | Descriptor: | Glycosyl transferase, MAGNESIUM ION | 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 (1.9 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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4RIH
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![BU of 4rih by Molmil](/molmil-images/mine/4rih) | Chimeric Glycosyltransferase LanGT2S8Ac, 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,Glycosyl transferase, MAGNESIUM ION | 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 (2.22 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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4RII
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![BU of 4rii by Molmil](/molmil-images/mine/4rii) | Chimeric Glycosyltransferase LanGT2S8Ac, TDP complex | Descriptor: | Glycosyl transferase homolog,Glycosyl transferase, MAGNESIUM ION, THYMIDINE-5'-DIPHOSPHATE | 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 (2 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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4RMG
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![BU of 4rmg by Molmil](/molmil-images/mine/4rmg) | Human Sirt2 in complex with SirReal2 and NAD+ | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | Deposit date: | 2014-10-21 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nat Commun, 6, 2015
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4C7N
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![BU of 4c7n by Molmil](/molmil-images/mine/4c7n) | Crystal Structure of the synthetic peptide iM10 in complex with the coiled-coil region of MITF | Descriptor: | MERCURY (II) ION, MICROPHTHALMIA ASSOCIATED TRANSCRIPTION FACTOR, SYNTHETIC ALPHA-HELIX, ... | Authors: | Wohlwend, D, Gerhardt, S, Kuekenshoener, T, Einsle, O. | Deposit date: | 2013-09-23 | Release date: | 2014-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Improving Coiled Coil Stability While Maintaining Specificity by a Bacterial Hitchhiker Selection System. J.Struct.Biol., 186, 2014
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2B99
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![BU of 2b99 by Molmil](/molmil-images/mine/2b99) | Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor | Descriptor: | 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase | Authors: | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2005-10-11 | Release date: | 2005-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications J.Biol.Chem., 281, 2006
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2B98
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![BU of 2b98 by Molmil](/molmil-images/mine/2b98) | Crystal Structure of an archaeal pentameric riboflavin synthase | Descriptor: | Riboflavin synthase | Authors: | Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2005-10-11 | Release date: | 2005-11-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications J.Biol.Chem., 281, 2006
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2VV9
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![BU of 2vv9 by Molmil](/molmil-images/mine/2vv9) | CDK2 in complex with an imidazole piperazine | Descriptor: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | Authors: | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-06-04 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode. Bioorg.Med.Chem.Lett., 18, 2008
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