5G1V
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![BU of 5g1v by Molmil](/molmil-images/mine/5g1v) | Linalool Dehydratase Isomerase: Selenomethionine Derivative | Descriptor: | LINALOOL DEHYDRATASE ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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5G1W
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![BU of 5g1w by Molmil](/molmil-images/mine/5g1w) | Apo Structure of Linalool Dehydratase-Isomerase | Descriptor: | 1,2-ETHANEDIOL, LINALOOL DEHYDRATASE/ISOMERASE, METHYLMALONIC ACID | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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5G1U
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![BU of 5g1u by Molmil](/molmil-images/mine/5g1u) | Linalool Dehydratase Isomerase in complex with Geraniol | Descriptor: | Geraniol, LINALOOL DEHYDRATASE/ISOMERASE | Authors: | Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G. | Deposit date: | 2016-03-30 | Release date: | 2017-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural and functional insights into asymmetric enzymatic dehydration of alkenols. Nat. Chem. Biol., 13, 2017
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4OT7
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![BU of 4ot7 by Molmil](/molmil-images/mine/4ot7) | X-structure of a variant of NCR from zymomonas mobilis | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NADH:flavin oxidoreductase/NADH oxidase | Authors: | Genz, M, Strater, N. | Deposit date: | 2014-02-13 | Release date: | 2015-02-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Surface Loops Representing Enzyme Modifying Element in the Field of Tuning Enzyme Properties TO BE PUBLISHED
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6ZIO
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![BU of 6zio by Molmil](/molmil-images/mine/6zio) | |
6ZIZ
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![BU of 6ziz by Molmil](/molmil-images/mine/6ziz) | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-26 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZJ0
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![BU of 6zj0 by Molmil](/molmil-images/mine/6zj0) | CRYSTAL STRUCTURE OF HRAS-G12D IN COMPLEX WITH GCP AND COMPOUND 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-26 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.763 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZL5
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![BU of 6zl5 by Molmil](/molmil-images/mine/6zl5) | CRYSTAL STRUCTURE OF KRAS-G12D(C118S) IN COMPLEX WITH BI-2852 AND GDP | Descriptor: | (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZIR
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![BU of 6zir by Molmil](/molmil-images/mine/6zir) | CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP AND COMPOUND 18 | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-26 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZL3
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![BU of 6zl3 by Molmil](/molmil-images/mine/6zl3) | CRYSTAL STRUCTURE OF HRAS IN COMPLEX WITH COMPOUND 18 and GDP | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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6ZLI
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![BU of 6zli by Molmil](/molmil-images/mine/6zli) | CRYSTAL STRUCTURE OF KRAS-G12D IN COMPLEX WITH COMPOUND 13 AND GCP | Descriptor: | 2-[(2~{R})-piperidin-2-yl]-1~{H}-indole, GTPase KRas, MAGNESIUM ION, ... | Authors: | Kessler, D, Fischer, G, Boettcher, J. | Deposit date: | 2020-06-30 | Release date: | 2020-08-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Drugging all RAS isoforms with one pocket. Future Med Chem, 12, 2020
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2R4F
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![BU of 2r4f by Molmil](/molmil-images/mine/2r4f) | Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-08-31 | Release date: | 2008-04-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hypercholesterolemia. J.Med.Chem., 51, 2008
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2Q6B
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![BU of 2q6b by Molmil](/molmil-images/mine/2q6b) | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-06-04 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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3IP8
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![BU of 3ip8 by Molmil](/molmil-images/mine/3ip8) | Crystal structure of arylmalonate decarboxylase (AMDase) from Bordatella bronchiseptic in complex with benzylphosphonate | Descriptor: | Arylmalonate decarboxylase, benzylphosphonic acid | Authors: | Okrasa, K, Levy, C, Leys, D, Micklefield, J. | Deposit date: | 2009-08-17 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Structure-Guided Directed Evolution of Alkenyl and Arylmalonate Decarboxylases. Angew.Chem.Int.Ed.Engl., 48, 2009
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3BGL
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![BU of 3bgl by Molmil](/molmil-images/mine/3bgl) | Hepatoselectivity of Statins: Design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors | Descriptor: | (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Finzel, B.C, Pavlovsky, A, Park, W.K.C. | Deposit date: | 2007-11-26 | Release date: | 2008-01-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.225 Å) | Cite: | Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3IA6
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2Q1L
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![BU of 2q1l by Molmil](/molmil-images/mine/2q1l) | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2Q6C
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![BU of 2q6c by Molmil](/molmil-images/mine/2q6c) | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-06-04 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2EWM
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![BU of 2ewm by Molmil](/molmil-images/mine/2ewm) | |
2EW8
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![BU of 2ew8 by Molmil](/molmil-images/mine/2ew8) | |