2XPZ
 
 | | Structure of native yeast LTA4 hydrolase | | Descriptor: | (R,R)-2,3-BUTANEDIOL, LEUKOTRIENE A-4 HYDROLASE, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Helgstrand, C, Hasan, M, Usyal, H, Haeggstrom, J.Z, Thunnissen, M.M.G.M. | | Deposit date: | 2010-08-31 | | Release date: | 2010-12-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Leukotriene A(4) Hydrolase-Related Aminopeptidase from Yeast Undergoes Induced Fit Upon Inhibitor Binding.
J.Mol.Biol., 406, 2011
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8DAD
 | | SARS-CoV-2 receptor binding domain in complex with AZ090 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AZ090 Fab Heavy Chain, AZ090 Fab Light Chain, ... | | Authors: | Zong, S, Wang, Z, Gaebler, C, Nussenzweig, M. | | Deposit date: | 2022-06-13 | | Release date: | 2022-08-24 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | SARS-CoV-2 receptor binding domain in complex with AZ090 Fab
To Be Published
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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4N1J
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | Descriptor: | GLYCEROL, NACHT, LRR and PYD domains-containing protein 14 | | Authors: | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | Deposit date: | 2013-10-04 | | Release date: | 2014-07-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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3B7S
 | | [E296Q]LTA4H in complex with RSR substrate | | Descriptor: | ACETIC ACID, GLYCEROL, Leukotriene A-4 hydrolase, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.465 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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3U8J
 | | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) | | Descriptor: | 1-(pyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | | Deposit date: | 2011-10-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
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3B7U
 | | Leukotriene A4 Hydrolase Complexed with KELatorphan | | Descriptor: | ACETIC ACID, IMIDAZOLE, Leukotriene A-4 hydrolase, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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3B7R
 | | Leukotriene A4 Hydrolase Complexed with Inhibitor RB3040 | | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.811 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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3S2I
 | | Crystal Structure of FurX NADH+:Furfuryl alcohol II | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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2KIB
 | | Protein Fibril | | Descriptor: | NFGAIL segment from human islet amyloid polypeptide | | Authors: | Nielsen, J.T, Bjerring, M, Jeppesen, M.D, Pedersen, R.O, Pedersen, J.M, Hein, K.L, Vosegaard, T, Skrydstrup, T, Otzen, D.E, Nielsen, N. | | Deposit date: | 2009-05-01 | | Release date: | 2009-09-08 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy.
Angew.Chem.Int.Ed.Engl., 48, 2009
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3B7T
 | | [E296Q]LTA4H in complex with Arg-Ala-Arg substrate | | Descriptor: | IMIDAZOLE, Leukotriene A-4 hydrolase, RAR peptide, ... | | Authors: | Tholander, F, Haeggstrom, J, Thunnissen, M, Muroya, A, Roques, B.-P, Fournie-Zaluski, M.-C. | | Deposit date: | 2007-10-31 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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4M63
 | | Crystal Structure of a Filament-Like Actin Trimer Bound to the Bacterial Effector VopL | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ... | | Authors: | Tomchick, D.R, Zahm, J.A, Rosen, M.K. | | Deposit date: | 2013-08-08 | | Release date: | 2013-10-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.748 Å) | | Cite: | The Bacterial Effector VopL Organizes Actin into Filament-like Structures.
Cell(Cambridge,Mass.), 155, 2013
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3S2F
 | | Crystal Structure of FurX NADH:Furfural | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHORYLISOPROPANE, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S2G
 | | Crystal Structure of FurX NADH+:Furfuryl alcohol I | | Descriptor: | FURFURAL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3S1L
 | | Crystal Structure of Apo-form FurX | | Descriptor: | HEXAETHYLENE GLYCOL, ZINC ION, Zinc-containing alcohol dehydrogenase superfamily | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-15 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Furfural reduction mechanism of a zinc-dependent alcohol dehydrogenase from Cupriavidus necator JMP134.
Mol.Microbiol., 83, 2012
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3S2E
 | | Crystal Structure of FurX NADH Complex 1 | | Descriptor: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Hayes, R, Sanchez, E.J, Webb, B.N, Hooper, T, Nissen, M.S, Li, Q, Xun, L. | | Deposit date: | 2011-05-16 | | Release date: | 2012-06-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.763 Å) | | Cite: | Crystal Structures and furfural reduction mechanism of a bacterial zinc-dependent alcohol dehydrogenase
To be Published
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3SEO
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3FPS
 | | The Structure of Sarcoplasmic Reticulum Ca2+-ATPase Bound To Cyclopiazonic and ADP | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moncoq, K, Morth, J.P, Bublitz, M, Laursen, M, Nissen, P, Young, H.S. | | Deposit date: | 2009-01-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
J.Biol.Chem., 284, 2009
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3FPB
 | | The Structure of Sarcoplasmic Reticulum Ca2+-ATPase Bound To Cyclopiazonic acid with ATP | | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Moncoq, K, Morth, J.P, Bublitz, M, Laursen, M, Nissen, P, Young, H.S. | | Deposit date: | 2009-01-05 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
J.Biol.Chem., 284, 2009
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2OC7
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH571696 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, TERT-BUTYL {(1S)-2-[(1R,2S,5R)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-7,7-DIMETHYL-6-OXA-3-AZABICYCLO[3.2.0]HEPT-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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4BWE
 | | Crystal structure of C-terminally truncated glypican-1 after controlled dehydration to 86 percent relative humidity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1 | | Authors: | Awad, W, Svensson Birkedal, G, Thunnissen, M.M.G.M, Mani, K, Logan, D.T. | | Deposit date: | 2013-07-01 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Improvements in the order, isotropy and electron density of glypican-1 crystals by controlled dehydration.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
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3WRB
 | | Crystal structure of the anaerobic H124F DESb-Gallate complex | | Descriptor: | 3,4,5-trihydroxybenzoic acid, FE (II) ION, Gallate dioxygenase | | Authors: | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | Deposit date: | 2014-02-21 | | Release date: | 2014-04-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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4CO6
 | | Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex | | Descriptor: | BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ... | | Authors: | Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M. | | Deposit date: | 2014-01-27 | | Release date: | 2014-08-13 | | Last modified: | 2014-09-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone.
Nat.Struct.Mol.Biol., 21, 2014
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5P2P
 | | X-RAY STRUCTURE OF PHOSPHOLIPASE A2 COMPLEXED WITH A SUBSTRATE-DERIVED INHIBITOR | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2, PHOSPHONIC ACID 2-DODECANOYLAMINO-HEXYL ESTER PROPYL ESTER | | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | | Deposit date: | 1990-09-01 | | Release date: | 1991-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of phospholipase A2 complexed with a substrate-derived inhibitor.
Nature, 347, 1990
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2OC8
 | | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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