2A2S
 
 | | Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ... | | Authors: | Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W. | | Deposit date: | 2005-06-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
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2A6C
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2VIE
 | | Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-11-30 | | Release date: | 2008-01-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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2W3I
 | | Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 | | Descriptor: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | | Deposit date: | 2008-11-12 | | Release date: | 2009-04-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action.
Bioorg.Med.Chem., 17, 2009
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1IJU
 | | HUMAN BETA-DEFENSIN-1 | | Descriptor: | BETA-DEFENSIN 1, GLYCEROL, SULFATE ION | | Authors: | Hoover, D.M, Lubkowski, J. | | Deposit date: | 2001-04-30 | | Release date: | 2001-10-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The structure of human beta-defensin-1: new insights into structural properties of beta-defensins.
J.Biol.Chem., 276, 2001
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3VLN
 | | Human Glutathione Transferase O1-1 C32S Mutant in Complex with Ascorbic Acid | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ASCORBIC ACID, ... | | Authors: | Brock, J, Board, P.G, Oakley, A.J. | | Deposit date: | 2011-12-02 | | Release date: | 2012-05-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
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4K80
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 2:0 ceramide-1-phosphate (2:0-C1P) | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4KA2
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3RKK
 | | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | | Descriptor: | ACETIC ACID, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Binkowski, T.A, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2011-04-18 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of Apo- and Monometalated Forms of NDM-1 A Highly Potent Carbapenem-Hydrolyzing Metallo-beta-Lactamase
Plos One, 6, 2011
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2Q30
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1MVE
 | | Crystal structure of a natural circularly-permutated jellyroll protein: 1,3-1,4-beta-D-glucanase from Fibrobacter succinogenes | | Descriptor: | CALCIUM ION, Truncated 1,3-1,4-beta-D-glucanase | | Authors: | Tsai, L.-C, Shyur, L.-F, Lee, S.-H, Lin, S.-S, Yuan, H.S. | | Deposit date: | 2002-09-25 | | Release date: | 2003-07-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of a Natural Circularly Permuted Jellyroll Protein: 1,3-1,4-beta-D-Glucanase from Fibrobacter succinogenes.
J.Mol.Biol., 330, 2003
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2Q9P
 | | Human diphosphoinositol polyphosphate phosphohydrolase 1, Mg-F complex | | Descriptor: | CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ... | | Authors: | Thorsell, A.G, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Sundstrom, M, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Hallberg, B.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-06-13 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of human diphosphoinositol phosphatase 1.
Proteins, 77, 2009
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1MX1
 | | Crystal Structure of Human Liver Carboxylesterase in complex with tacrine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Bencharit, S, Morton, C.L, Hyatt, J.L, Kuhn, P, Danks, M.K, Potter, P.M, Redinbo, M.R. | | Deposit date: | 2002-10-01 | | Release date: | 2003-04-22 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of Human Carboxylesterase 1 Complexed with the Alzheimer's
Drug Tacrine: From Binding Promiscuity to Selective Inhibition
CHEM.BIOL., 10, 2003
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1HFE
 | | 1.6 A RESOLUTION STRUCTURE OF THE FE-ONLY HYDROGENASE FROM DESULFOVIBRIO DESULFURICANS | | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | Authors: | Nicolet, Y, Piras, C, Legrand, P, Hatchikian, E.C, Fontecilla-Camps, J.C. | | Deposit date: | 1998-11-11 | | Release date: | 1999-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center.
Structure Fold.Des., 7, 1999
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4CYY
 | | The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PANTETHEINASE | | Authors: | Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S. | | Deposit date: | 2014-04-16 | | Release date: | 2014-12-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation
Acta Crystallogr.,Sect.D, 70, 2014
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4CYG
 | | The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation | | Descriptor: | (2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Boersma, Y.L, Newman, J, Adams, T.E, Sparrow, L, Cowieson, N, Lucent, D, Krippner, G, Bozaoglu, K, Peat, T.S. | | Deposit date: | 2014-04-11 | | Release date: | 2014-12-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Structure of Vanin-1: A Key Enzyme Linking Metabolic Disease and Inflammation
Acta Crystallogr.,Sect.D, 70, 2014
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2B3X
 | | Structure of an orthorhombic crystal form of human cytosolic aconitase (IRP1) | | Descriptor: | 1,2-ETHANEDIOL, IRON/SULFUR CLUSTER, Iron-responsive element binding protein 1, ... | | Authors: | Dupuy, J, Fontecilla-Camps, J.C, Volbeda, A. | | Deposit date: | 2005-09-22 | | Release date: | 2006-01-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structure of human iron regulatory protein 1 as cytosolic aconitase
Structure, 14, 2006
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6BF4
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2PRV
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2VXL
 | | Screening a Limited Structure-based Library Identifies UDP-GalNAc- Specific Mutants of alpha-1,3 Galactosyltransferase | | Descriptor: | MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE | | Authors: | Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Acharya, K.R, Brew, K. | | Deposit date: | 2008-07-07 | | Release date: | 2008-09-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Screening a Limited Structure-Based Library Identifies Udp-Galnac-Specific Mutants of {Alpha}-1,3-Galactosyltransferase.
Glycobiology, 18, 2008
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3F7W
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1YP0
 | | Structure of the steroidogenic factor-1 ligand binding domain bound to phospholipid and a SHP peptide motif | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0, group B, ... | | Authors: | Li, Y, Choi, M, Cavey, G, Daugherty, J, Suino, K, Kovach, A, Bingham, N, Kliewer, S, Xu, H. | | Deposit date: | 2005-01-28 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic identification and functional characterization of phospholipids as ligands for the orphan nuclear receptor steroidogenic factor-1.
Mol.Cell, 17, 2005
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5AM8
 | | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | | Authors: | Masuyer, G, Larmuth, K.M, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2015-03-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism by Human Angiotensin-1- Converting Enzyme (Ace)
FEBS J., 283, 2016
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4A7C
 | | Crystal structure of PIM1 kinase with ETP46546 | | Descriptor: | ACETATE ION, IMIDAZOLE, N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Mazzorana, M, Montoya, G. | | Deposit date: | 2011-11-12 | | Release date: | 2012-02-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Hit to Lead Evaluation of 1,2,3-Triazolo[4,5-B]Pyridines as Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4AA7
 | | E.coli GlmU in complex with an antibacterial inhibitor | | Descriptor: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | | Authors: | Otterbein, L, Breed, J, Ogg, D.J. | | Deposit date: | 2011-11-30 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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