1C7T
 
 | | BETA-N-ACETYLHEXOSAMINIDASE MUTANT E540D COMPLEXED WITH DI-N ACETYL-D-GLUCOSAMINE (CHITOBIASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | | Deposit date: | 2000-03-17 | | Release date: | 2000-09-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540.
J.Mol.Biol., 300, 2000
|
|
2VWL
 | | Aminopyrrolidine Factor Xa inhibitor | | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-26 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
|
|
1C7S
 | | BETA-N-ACETYLHEXOSAMINIDASE MUTANT D539A COMPLEXED WITH DI-N-ACETYL-BETA-D-GLUCOSAMINE (CHITOBIASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE, SULFATE ION | | Authors: | Prag, G, Papanikolau, Y, Tavlas, G, Vorgias, C.E, Petratos, K, Oppenheim, A.B. | | Deposit date: | 2000-03-14 | | Release date: | 2000-09-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of chitobiase mutants complexed with the substrate Di-N-acetyl-d-glucosamine: the catalytic role of the conserved acidic pair, aspartate 539 and glutamate 540.
J.Mol.Biol., 300, 2000
|
|
2VVV
 | | Aminopyrrolidine-related triazole Factor Xa inhibitor | | Descriptor: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | Deposit date: | 2008-06-12 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
|
|
2WHP
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin and in complex with HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
|
|
4WMH
 | |
2WHQ
 | | Crystal structure of acetylcholinesterase, phosphonylated by sarin (aged) in complex with HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Ekstrom, F, Hornberg, A, Artursson, E, Hammarstrom, L.G, Schneider, G, Pang, Y.P. | | Deposit date: | 2009-05-06 | | Release date: | 2009-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Hi-6Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design.
Plos One, 4, 2009
|
|
6HIT
 | | The crystal structure of haemoglobin from Atlantic cod | | Descriptor: | Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M. | | Deposit date: | 2018-08-30 | | Release date: | 2019-08-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of haemoglobin from Atlantic cod.
Acta Crystallogr.,Sect.F, 75, 2019
|
|
1U08
 | | Crystal Structure and Reactivity of YbdL from Escherichia coli Identify a Methionine Aminotransferase Function. | | Descriptor: | Hypothetical aminotransferase ybdL, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Dolzan, M, Johansson, K, Roig-Zamboni, V, Campanacci, V, Tegoni, M, Schneider, G, Cambillau, C. | | Deposit date: | 2004-07-13 | | Release date: | 2004-07-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure and reactivity of YbdL from Escherichia coli identify a methionine aminotransferase function
FEBS Lett., 571, 2004
|
|
2WU3
 | | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | | Authors: | Hornberg, A, Artursson, E, Warme, R, Pang, Y.-P, Ekstrom, F. | | Deposit date: | 2009-09-28 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad.
Biochem.Pharm., 79, 2010
|
|
1B3K
 | | Plasminogen activator inhibitor-1 | | Descriptor: | PLASMINOGEN ACTIVATOR INHIBITOR-1 | | Authors: | Sharp, A.M, Stein, P.E, Pannu, N.S, Read, R.J. | | Deposit date: | 1998-12-11 | | Release date: | 1999-12-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The active conformation of plasminogen activator inhibitor 1, a target for drugs to control fibrinolysis and cell adhesion.
Structure Fold.Des., 7, 1999
|
|
1AWX
 | | SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BRUTON'S TYROSINE KINASE | | Authors: | Hansson, H, Mattsson, P.T, Allard, P, Haapaniemi, P, Vihinen, M, Smith, C.I.E, Hard, T. | | Deposit date: | 1997-10-06 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the SH3 domain from Bruton's tyrosine kinase.
Biochemistry, 37, 1998
|
|
2XBY
 | | Factor Xa in complex with a pyrrolidine-3,4-dicarboxylic acid inhibitor | | Descriptor: | (3R,4R)-1-METHYLCARBAMOYLMETHYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Banner, D.W, Benz, J, Schlatter, D, Thomi, S, Haap, W. | | Deposit date: | 2010-04-15 | | Release date: | 2010-08-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a Factor Xa Inhibitor (3R,4R)-1-(2,2-Difluoro-Ethyl)-Pyrrolidine-3,4-Dicarboxylic Acid 3-[(5-Chloro-Pyridin-2-Yl)-Amide] 4-{[2-Fluoro-4-(2-Oxo-2H-Pyridin-1-Yl)-Phenyl]-Amide} as a Clinical Candidate.
Bioorg.Med.Chem., 20, 2010
|
|
7VQK
 | |
1R4L
 | | Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | | Descriptor: | (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | | Deposit date: | 2003-10-07 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
|
|
4LXJ
 | | Saccharomyces cerevisiae lanosterol 14-alpha demethylase with lanosterol bound | | Descriptor: | LANOSTEROL, Lanosterol 14-alpha demethylase, OXYGEN MOLECULE, ... | | Authors: | Monk, B.C, Tomasiak, T.M, Keniya, M.V, Huschmann, F.U, Tyndall, J.D.A, O'Connell III, J.D, Cannon, R.D, McDonald, J, Rodriguez, A, Finer-Moore, J, Stroud, R.M. | | Deposit date: | 2013-07-29 | | Release date: | 2014-01-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Architecture of a single membrane spanning cytochrome P450 suggests constraints that orient the catalytic domain relative to a bilayer.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
7Y28
 | | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | | Descriptor: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | | Deposit date: | 2022-06-09 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
|
|
7Y1H
 | | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | | Descriptor: | 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | | Deposit date: | 2022-06-08 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
|
|
7Y3S
 | | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | | Descriptor: | 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | | Deposit date: | 2022-06-12 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
|
|
2VDH
 | | Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit C172S mutation | | Descriptor: | 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Garcia-Murria, M.-J, Karkehabadi, S, Marin-Navarro, J, Satagopan, S, Andersson, I, Spreitzer, R.J, Moreno, J. | | Deposit date: | 2007-10-09 | | Release date: | 2008-11-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Functional Consequences of the Replacement of Proximal Residues Cys-172 and Cys-192 in the Large Subunit of Ribulose 1,5-Bisphosphate Carboxylase/Oxygenase from Chlamydomonas Reinhardtii
Biochem.J., 411, 2008
|
|
2W50
 | | N-terminal domain of human conserved dopamine neurotrophic factor (CDNF) | | Descriptor: | ARMET-LIKE PROTEIN 1, PHOSPHATE ION | | Authors: | Parkash, V, Lindholm, P, Peranen, J, Kalkkinen, N, Oksanen, E, Saarma, M, Leppanen, V.M, Goldman, A. | | Deposit date: | 2008-12-03 | | Release date: | 2009-03-17 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structure of the Conserved Neurotrophic Factors Manf and Cdnf Explains Why They are Bifunctional.
Protein Eng.Des.Sel., 22, 2009
|
|
7XZ6
 | | GPR119-Gs-APD668 complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | | Authors: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | | Deposit date: | 2022-06-02 | | Release date: | 2022-08-24 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
|
|
5AHJ
 | | Yeast 20S proteasome in complex with Macyranone A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 20S PROTEASOME, CHLORIDE ION, ... | | Authors: | Etzbach, L, Plaza, A, Dubiella, C, Groll, M, Kaiser, M, Mueller, R. | | Deposit date: | 2015-02-06 | | Release date: | 2015-02-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Macyranones: Structure, Biosynthesis, and Binding Mode of an Unprecedented Epoxyketone that Targets the 20S Proteasome.
J.Am.Chem.Soc., 137, 2015
|
|
3B9D
 | | Crystal structure of Vibrio harveyi chitinase A complexed with pentasaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | | Authors: | Songsiriritthigul, C, Aguda, A.H, Robinson, R.C, Suginta, W. | | Deposit date: | 2007-11-05 | | Release date: | 2008-04-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
|
|
1BQP
 | | THE STRUCTURE OF THE PEA LECTIN-D-MANNOPYRANOSE COMPLEX | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (LECTIN), ... | | Authors: | Ruzeinikov, S.N, Mikhailova, I.Y, Tsygannik, I.N, Pangborn, W, Duax, W, Pletnev, V.Z. | | Deposit date: | 1998-08-17 | | Release date: | 1998-08-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of the Pea Lectin-D-Mannopyranose Complex at a 2.1 A Resolution
RUSS.J.BIOORGANIC CHEM., 24, 1998
|
|
