4J43
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![BU of 4j43 by Molmil](/molmil-images/mine/4j43) | PylD holoenzyme | Descriptor: | MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PylD, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2013-02-06 | Release date: | 2013-06-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 52, 2013
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1NZX
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4J1E
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![BU of 4j1e by Molmil](/molmil-images/mine/4j1e) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-fluoromethyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J0T
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![BU of 4j0t by Molmil](/molmil-images/mine/4j0t) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | 5-Ethoxy-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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2AMF
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![BU of 2amf by Molmil](/molmil-images/mine/2amf) | Crystal structure of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus Pyogenes | Descriptor: | 1-Pyrroline-5-Carboxylate reductase, PROLINE, SODIUM ION | Authors: | Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-08-09 | Release date: | 2005-09-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes J.Mol.Biol., 354, 2005
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4IKB
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![BU of 4ikb by Molmil](/molmil-images/mine/4ikb) | Crystal structure of SNX11 PX domain | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, SODIUM ION, ... | Authors: | Xu, J, Xu, T, Liu, J. | Deposit date: | 2012-12-26 | Release date: | 2013-04-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation to be published
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4IIL
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![BU of 4iil by Molmil](/molmil-images/mine/4iil) | Crystal Structure of RfuA (TP0298) of T. pallidum Bound to Riboflavin | Descriptor: | 1,2-ETHANEDIOL, Membrane lipoprotein TpN38(b), POTASSIUM ION, ... | Authors: | Brautigam, C.A, Deka, R.K, Norgard, M.V. | Deposit date: | 2012-12-20 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Evidence for an ABC-type riboflavin transporter system in pathogenic spirochetes. MBio, 4, 2013
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4INB
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![BU of 4inb by Molmil](/molmil-images/mine/4inb) | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With benzodiazepine Inhibitor | Descriptor: | (3Z)-3-{[(2-methoxyethyl)amino]methylidene}-1-methyl-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, Gag protein, SODIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-01-04 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Monitoring Binding of HIV-1 Capsid Assembly Inhibitors Using (19) F Ligand-and (15) N Protein-Based NMR and X-ray Crystallography: Early Hit Validation of a Benzodiazepine Series. Chemmedchem, 8, 2013
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2WC8
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![BU of 2wc8 by Molmil](/molmil-images/mine/2wc8) | S100A12 complex with zinc in the absence of calcium | Descriptor: | CITRIC ACID, PROTEIN S100-A12, SODIUM ION, ... | Authors: | Moroz, O.V, Blagova, E.V, Wilkinson, A.J, Wilson, K.S, Bronstein, I.B. | Deposit date: | 2009-03-10 | Release date: | 2009-06-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The Crystal Structures of Human S100A12 in Apo Form and in Complex with Zinc: New Insights Into S100A12 Oligomerisation. J.Mol.Biol., 391, 2009
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4GOG
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![BU of 4gog by Molmil](/molmil-images/mine/4gog) | Crystal structure of the GES-1 imipenem acyl-enzyme complex | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase GES-1, IODIDE ION, ... | Authors: | Smith, C.A, Vakulenko, S.B, Munoz, J. | Deposit date: | 2012-08-20 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis for progression toward the carbapenemase activity in the GES family of beta-lactamases. J.Am.Chem.Soc., 134, 2012
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4GWE
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![BU of 4gwe by Molmil](/molmil-images/mine/4gwe) | W116L-OYE1 complexed with (R)-carvone | Descriptor: | (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Pompeu, Y.A, Stewart, J.D. | Deposit date: | 2012-09-02 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase ACS CATALYSIS, 3, 2013
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4J0V
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![BU of 4j0v by Molmil](/molmil-images/mine/4j0v) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J1I
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![BU of 4j1i by Molmil](/molmil-images/mine/4j1i) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J0Y
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![BU of 4j0y by Molmil](/molmil-images/mine/4j0y) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4R,5S)-2-amino-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J1C
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![BU of 4j1c by Molmil](/molmil-images/mine/4j1c) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-5,5-difluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J3G
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4J17
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![BU of 4j17 by Molmil](/molmil-images/mine/4j17) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-difluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4GZV
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2WSJ
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![BU of 2wsj by Molmil](/molmil-images/mine/2wsj) | Crystal Structure of single point mutant Glu71Ser p-coumaric Acid Decarboxylase | Descriptor: | BARIUM ION, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | Authors: | Rodriguez, H, Angulo, I, De Las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | Deposit date: | 2009-09-07 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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4HCD
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![BU of 4hcd by Molmil](/molmil-images/mine/4hcd) | Crystal structure of D-glucarate dehydratase from agrobacterium tumefaciens complexed with magnesium | Descriptor: | CHLORIDE ION, Isomerase/lactonizing enzyme, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Sakai, A, Millikin, C, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-09-29 | Release date: | 2013-10-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of D-glucarate dehydratase from agrobacterium tumefaciens complexed with magnesium To be Published
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3G3J
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![BU of 3g3j by Molmil](/molmil-images/mine/3g3j) | |
4J0Z
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![BU of 4j0z by Molmil](/molmil-images/mine/4j0z) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,5R)-2-amino-5-fluoro-4-fluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,5R)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-01-31 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J1F
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![BU of 4j1f by Molmil](/molmil-images/mine/4j1f) | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((4S,6S)-2-amino-4-methyl-6-trifluoromethyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2013-02-01 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | beta-Secretase (BACE1) Inhibitors with High In Vivo Efficacy Suitable for Clinical Evaluation in Alzheimer s Disease J.Med.Chem., 56, 2013
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4J4B
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![BU of 4j4b by Molmil](/molmil-images/mine/4j4b) | PylD in complex with L-lysine-Ne-D-ornithine and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MAGNESIUM ION, N~6~-D-ornithyl-L-lysine, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2013-02-06 | Release date: | 2013-06-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 52, 2013
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3GDF
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![BU of 3gdf by Molmil](/molmil-images/mine/3gdf) | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum. | Descriptor: | Probable NADP-dependent mannitol dehydrogenase, ZINC ION | Authors: | Nuess, D, Goettig, P, Magler, I, Denk, U, Breitenbach, M, Schneider, P.B, Brandstetter, H, Simon-Nobbe, B. | Deposit date: | 2009-02-24 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum: Implications for oligomerisation and catalysis. Biochimie, 92, 2010
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