2MU9
 
 | | Changing ABRA protein peptide to fit the HLA-DR B1*0301 molecule renders it protection-inducing | | Descriptor: | P101/acidic basic repeat antigen | | Authors: | Salazar, L, Alba, M, Curtidor, H, Bermudez, A, Vargas, L, Rivera, Z, Patarroyo, M. | | Deposit date: | 2014-09-04 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Changing ABRA protein peptide to fit into the HLA-DRbeta1*0301 molecule renders it protection-inducing.
Biochem.Biophys.Res.Commun., 322, 2004
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4BTX
 | | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ... | | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
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4BTW
 | | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
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4BTY
 | | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode.
J.Med.Chem., 56, 2013
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5R49
 | | Crystal Structure of gamma-Chymotrypsin at pH 5.6, cryo temperature | | Descriptor: | IODIDE ION, MALONATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R45
 | | Crystal Structure of gamma-Chymotrypsin at pH 7.5, cryo temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONATE ION, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R46
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R43
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, MALONIC ACID, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4B
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, cryo temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4D
 | | Crystal Structure of gamma-Chymotrypsin at pH 9, cryo temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R47
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 5.6, cryo temperature | | Descriptor: | IODIDE ION, MALONIC ACID, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R42
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, room temperature | | Descriptor: | IODIDE ION, gamma-Chymotrypsin, peptide SWPW, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4C
 | | Crystal Structure of gamma-Chymotrypsin at pH 9, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R48
 | | Crystal Structure of gamma-Chymotrypsin at pH 5.6, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R4A
 | | Crystal Structure of deuterated gamma-Chymotrypsin at pH 9, room temperature | | Descriptor: | IODIDE ION, SULFATE ION, gamma-chymotrypsin, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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5R44
 | | Crystal Structure of gamma-Chymotrypsin at pH 7.5, room temperature | | Descriptor: | Chymotrypsinogen A, IODIDE ION, peptide SWPW, ... | | Authors: | Kreinbring, C.A, Wilson, M.A, Kovalevsky, A.Y, Blakeley, M.P, Fisher, S.Z, Lazar, L.M, Moulin, A.G, Novak, W.R, Petsko, G.A, Ringe, D. | | Deposit date: | 2020-02-18 | | Release date: | 2021-09-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Effect of Temperature and pH on Ionizable Residues in gamma-Chymotrypsin: a X-ray and Neutron Crystallography Study
To be published
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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2MUG
 | | Protective cellular immunity against P. falciparum malaria merozoite is associated with a different P7 and P8 residue orientation in the MHC-peptide-TCR complex | | Descriptor: | Serine-repeat antigen protein | | Authors: | Patarroyo, M, Salazar, L, Cifuentes, G, Lozano, J, Delgado, G, Rivera, Z, Rosas, J, Vargas, L. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Protective cellular immunity against P. falciparum malaria merozoites is associated with a different P7 and P8 residue orientation in the MHC-peptide-TCR complex.
Biochimie, 88, 2006
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3DTP
 | | Tarantula heavy meromyosin obtained by flexible docking to Tarantula muscle thick filament Cryo-EM 3D-MAP | | Descriptor: | Myosin II regulatory light chain, Myosin light polypeptide 6, Myosin-11,Myosin-7 | | Authors: | Alamo, L, Wriggers, W, Pinto, A, Bartoli, F, Salazar, L, Zhao, F.Q, Craig, R, Padron, R. | | Deposit date: | 2008-07-15 | | Release date: | 2008-10-07 | | Last modified: | 2020-01-29 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Three-Dimensional Reconstruction of Tarantula Myosin Filaments Suggests How Phosphorylation May Regulate Myosin Activity
J.Mol.Biol., 384, 2008
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2MTW
 | | Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit into HLA-DR 1*03 molecules induces antibody production and protection | | Descriptor: | Erythrocyte-binding antigen 175 | | Authors: | Cifuentes, G, Salazar, L, Vargas, L, Parra, C, Vanegas, M, Cortes, J, Sandoval, M, Patarroyo, M.E. | | Deposit date: | 2014-09-01 | | Release date: | 2015-02-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit HLA-DR 1*03 molecules induces antibody production and protection
To be Published
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2MTX
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2MUE
 | | Structure Immunogenicity and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues | | Descriptor: | Merozoite surface protein 1 | | Authors: | Espejo, F, Cubillos, M, Salazar, L, Guzman, F, Urquiza, M, Ocampo, M, Silva, Y, Rodriguez, R, Lioy, E, Patarroyo, M. | | Deposit date: | 2014-09-08 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure, Immunogenicity, and Protectivity Relationship for the 1585 Malarial Peptide and Its Substitution Analogues.
Angew.Chem.Int.Ed.Engl., 40, 2001
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