7TOH
 
 | | Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-13 | | Last modified: | 2022-11-02 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans.
Molecules, 27, 2022
|
|
4BAJ
 | | MYCOBACTERIUM TUBERCULOSIS CHORISMATE SYNTHASE after exposure to 266nm UV laser | | Descriptor: | ACETATE ION, CHORISMATE SYNTHASE | | Authors: | Pereira, P.J.B, Royant, A, Panjikar, S, de Sanctis, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-04-17 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In-house UV radiation-damage-induced phasing of selenomethionine-labeled protein structures.
J. Struct. Biol., 181, 2013
|
|
4BAG
 | |
7TPU
 | | Crystal structure of a chitinase-modifying protein from Fusarium vanettenii (Fvan-cmp) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-lactamase domain-containing protein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Dowling, N.V, Naumann, T.A, Price, N.P.J, Rose, D.R. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Crystal structure of a polyglycine hydrolase determined using a RoseTTAFold model.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
1I8Y
 | |
1I8X
 | |
1MU8
 | | thrombin-hirugen_l-378,650 | | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | Deposit date: | 2002-09-23 | | Release date: | 2004-04-06 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
|
|
1KWM
 | | Human procarboxypeptidase B: Three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI) | | Descriptor: | CITRIC ACID, Procarboxypeptidase B, ZINC ION | | Authors: | Pereira, P.J.B, Segura-Martin, S, Ferrer-Orta, C, Vendrell, J, Aviles, F.-X, Coll, M, Gomis-Rueth, F.-X. | | Deposit date: | 2002-01-30 | | Release date: | 2002-06-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Human procarboxypeptidase B: three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI).
J.Mol.Biol., 321, 2002
|
|
7UMK
 | | Structure of vesicular stomatitis virus (helical reconstruction, 4.1 A resolution) | | Descriptor: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
|
|
7UML
 | | Structure of vesicular stomatitis virus (local reconstruction, 3.5 A resolution) | | Descriptor: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | | Deposit date: | 2022-04-07 | | Release date: | 2022-04-20 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
|
|
1S63
 | | Human protein farnesyltransferase complexed with L-778,123 and FPP | | Descriptor: | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase beta subunit, ... | | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | | Deposit date: | 2004-01-22 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic Analysis Reveals that Anticancer Clinical Candidate L-778,123 Inhibits Protein Farnesyltransferase and Geranylgeranyltransferase-I by Different Binding Modes.
Biochemistry, 43, 2004
|
|
4BAI
 | | Mycobacterium tuberculosis Chorismate synthase before exposure to 266 nm UV laser | | Descriptor: | ACETATE ION, CHORISMATE SYNTHASE | | Authors: | Pereira, P.J.B, Royant, A, Panjikar, S, de Sanctis, D. | | Deposit date: | 2012-09-14 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In-house UV radiation-damage-induced phasing of selenomethionine-labeled protein structures.
J. Struct. Biol., 181, 2013
|
|
1PJP
 | | THE 2.2 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, SUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYLKETONE INHIBITOR, ... | | Authors: | Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | | Deposit date: | 1998-09-07 | | Release date: | 1999-03-02 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The 2.2 A crystal structure of human chymase in complex with succinyl-Ala-Ala-Pro-Phe-chloromethylketone: structural explanation for its dipeptidyl carboxypeptidase specificity.
J.Mol.Biol., 286, 1999
|
|
1JVW
 | | TRYPANOSOMA CRUZI MACROPHAGE INFECTIVITY POTENTIATOR (TCMIP) | | Descriptor: | MACROPHAGE INFECTIVITY POTENTIATOR | | Authors: | Pereira, P.J.B, Vega, M.C, Gonzalez-Rey, E, Fernandez-Carazo, R, Macedo-Ribeiro, S, Gomis-Rueth, F.X, Gonzalez, A, Coll, M. | | Deposit date: | 2001-08-31 | | Release date: | 2002-06-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Trypanosoma cruzi macrophage infectivity potentiator has a rotamase core and a highly exposed alpha-helix.
EMBO Rep., 3, 2002
|
|
3ZPK
 | | Atomic-resolution structure of a quadruplet cross-beta amyloid fibril. | | Descriptor: | TRANSTHYRETIN | | Authors: | Fitzpatrick, A.W.P, Debelouchina, G.T, Bayro, M.J, Clare, D.K, Caporini, M.A, Bajaj, V.S, Jaroniec, C.P, Wang, L, Ladizhansky, V, Muller, S.A, MacPhee, C.E, Waudby, C.A, Mott, H.R, de Simone, A, Knowles, T.P.J, Saibil, H.R, Vendruscolo, M, Orlova, E.V, Griffin, R.G, Dobson, C.M. | | Deposit date: | 2013-02-28 | | Release date: | 2013-12-04 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY, SOLID-STATE NMR | | Cite: | Atomic Structure and Hierarchical Assembly of a Cross-Beta Amyloid Fibril.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
1MOX
 | | Crystal Structure of Human Epidermal Growth Factor Receptor (residues 1-501) in complex with TGF-alpha | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Garrett, T.P.J, McKern, N.M, Lou, M, Elleman, T.C, Adams, T.E, Lovrecz, G.O, Zhu, H.-J, Walker, F, Frenkel, M.J, Hoyne, P.A, Jorissen, R.N, Nice, E.C, Burgess, A.W, Ward, C.W. | | Deposit date: | 2002-09-10 | | Release date: | 2003-09-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of a Truncated Epidermal Growth Factor Receptor Extracellular Domain Bound to Transforming Growth Factor alpha
Cell(Cambridge,Mass.), 110, 2002
|
|
4BOH
 | | Madanins (MEROPS I53) are cleaved by thrombin and factor Xa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ... | | Authors: | Figueiredo, A.C, deSanctis, D, Pereira, P.J.B. | | Deposit date: | 2013-05-20 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | The Tick-Derived Anticoagulant Madanin is Processed by Thrombin and Factor Xa.
Plos One, 8, 2013
|
|
1MU6
 | | Crystal Structure of Thrombin in Complex with L-378,622 | | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | Deposit date: | 2002-09-23 | | Release date: | 2004-04-06 | | Last modified: | 2021-07-21 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
|
|
4CHU
 | | E. coli IscR-DNA complex | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR ISCR, HYA PROMOTER FRAGMENT | | Authors: | Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B. | | Deposit date: | 2013-12-04 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.489 Å) | | Cite: | The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium.
Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
1POG
 | | SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS | | Descriptor: | OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN | | Authors: | Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R. | | Deposit date: | 1994-10-12 | | Release date: | 1995-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics.
J.Biomol.NMR, 6, 1995
|
|
4E05
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4E06
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
6G7D
 | |
6G3J
 | | MHC A02 Allele presenting MTSAIGILVP | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Rizkallah, P.J, Sewell, A.K. | | Deposit date: | 2018-03-26 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide Super-Agonist Enhances T-Cell Responses to Melanoma.
Front Immunol, 10, 2019
|
|
3CD4
 | |
