1ZR9
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1MUE
| Thrombin-Hirugen-L405,426 | Descriptor: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | Authors: | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2002-09-23 | Release date: | 2004-04-06 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg.Med.Chem.Lett., 13, 2003
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1N1M
| Human Dipeptidyl Peptidase IV/CD26 in complex with an inhibitor | Descriptor: | 2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rasmussen, H.B, Branner, S, Wiberg, F.C, Wagtmann, N.R. | Deposit date: | 2002-10-18 | Release date: | 2002-12-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human dipeptidyl peptidase IV/CD26 in complex with a substrate analogue Nat.Struct.Biol., 10, 2003
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2QKF
| Crystal structure of 3-deoxy-d-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis | Descriptor: | 3-deoxy-D-manno-octulosonic acid 8- phosphate synthetase, CHLORIDE ION, GLYCEROL, ... | Authors: | Cochrane, F.C, Patchett, M.L, Jameson, G.B, Parker, E.J. | Deposit date: | 2007-07-11 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Re-Establishing a Metal-Binding Scaffold with Full Activity in the Metal-Independent Kdo8P Synthase from Neisseria Meningitidis To be Published
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2RLJ
| NMR Structure of Ebola fusion peptide in SDS micelles at pH 7 | Descriptor: | Envelope glycoprotein | Authors: | Freitas, M.S, Gaspar, L.P, Lorenzoni, M, Almeida, F.C, Tinoco, L.W, Almeida, M.S, Maia, L.F, Degreve, L, Valente, A.P, Silva, J.L. | Deposit date: | 2007-07-05 | Release date: | 2007-08-07 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Ebola fusion peptide in a membrane-mimetic environment and the interaction with lipid rafts. J.Biol.Chem., 282, 2007
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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
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2V92
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-20 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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2V8Q
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-13 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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2V9J
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with Mg.ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-23 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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1MKE
| Structure of the N-WASP EVH1 Domain-WIP complex | Descriptor: | Fusion protein consisting of Wiskott-Aldrich syndrome protein interacting protein (WIP), GSGSG linker, and Neural Wiskott-Aldrich syndrome protein (N-WASP) | Authors: | Volkman, B.F, Prehoda, K.E, Scott, J.A, Peterson, F.C, Lim, W.A. | Deposit date: | 2002-08-29 | Release date: | 2002-12-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the N-WASP EVH1 Domain-WIP Complex. Insight into the
Molecular Basis of Wiskott-Aldrich Syndrome. Cell(Cambridge,Mass.), 111, 2002
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1M5A
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1PI1
| Crystal structure of a human Mob1 protein; toward understanding Mob-regulated cell cycle pathways. | Descriptor: | Mob1A, ZINC ION | Authors: | Stavridi, E.S, Harris, K.G, Huyen, Y, Bothos, J, Voewerd, P.M, Stayrook, S.E, Jeffrey, P.D, Pavletich, N.P, Luca, F.C. | Deposit date: | 2003-05-29 | Release date: | 2003-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a human mob1 protein. Toward understanding mob-regulated cell cycle pathways. Structure, 11, 2003
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2QED
| Crystal structure of Salmonella thyphimurium LT2 glyoxalase II | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Hydroxyacylglutathione hydrolase | Authors: | Leite, N.R, Campos Bermudez, V.A, Krogh, R, Oliva, G, Soncini, F.C, Vila, A.J. | Deposit date: | 2007-06-25 | Release date: | 2007-10-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Biochemical and Structural Characterization of Salmonella typhimurium Glyoxalase II: New Insights into Metal Ion Selectivity Biochemistry, 46, 2007
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1Q53
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1M02
| NMR Structure of PW2 Bound to SDS Micelles: A Tryptophan-rich Anticocidial Peptide Selected from Phage Display Libraries | Descriptor: | HIS-PRO-LEU-LYS-GLN-TYR-TRP-TRP-ARG-PRO-SER-ILE | Authors: | Tinoco, L.W, da Silva Jr, A, Leite, A, Valente, A.P, Almeida, F.C. | Deposit date: | 2002-06-11 | Release date: | 2002-08-14 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of PW2 bound to SDS micelles. A tryptophan-rich anticoccidial peptide selected from phage display libraries J.Biol.Chem., 277, 2002
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2REM
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2ROC
| Solution structure of Mcl-1 Complexed with Puma | Descriptor: | Bcl-2-binding component 3, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1 J.Mol.Biol., 380, 2008
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2ROD
| Solution Structure of MCL-1 Complexed with NoxaA | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa | Authors: | Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G. | Deposit date: | 2008-03-17 | Release date: | 2008-07-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1 J.Mol.Biol., 380, 2008
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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
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1T0Y
| Solution Structure of a Ubiquitin-Like Domain from Tubulin-binding Cofactor B | Descriptor: | tubulin folding cofactor B | Authors: | Lytle, B.L, Peterson, F.C, Qui, S.H, Luo, M, Volkman, B.F, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-04-13 | Release date: | 2004-04-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Ubiquitin-like Domain from Tubulin-binding Cofactor B. J.Biol.Chem., 279, 2004
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1RZX
| Crystal Structure of a Par-6 PDZ-peptide Complex | Descriptor: | Acetylated VKESLV Peptide, CG5884-PA | Authors: | Peterson, F.C, Penkert, R.R, Volkman, F.B, Prehoda, K.E. | Deposit date: | 2003-12-29 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cdc42 regulates the Par-6 PDZ domain through an allosteric CRIB-PDZ transition. Mol.Cell, 13, 2004
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1S4J
| NMR structure of cross-reactive peptides from Homo sapiens | Descriptor: | 60S acidic ribosomal protein P2 | Authors: | Soares, M.R, Bisch, P.M, Campos de Carvalho, A.C, Valente, A.P, Almeida, F.C.L. | Deposit date: | 2004-01-16 | Release date: | 2004-03-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Correlation between conformation and antibody binding: NMR structure of cross-reactive peptides from T. cruzi, human and L. braziliensis Febs Lett., 560, 2004
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1RY4
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1TTT
| Phe-tRNA, elongation factoR EF-TU:GDPNP ternary complex | Descriptor: | MAGNESIUM ION, OF ELONGATION FACTOR TU (EF-TU), PHENYLALANINE, ... | Authors: | Nissen, P, Kjeldgaard, M, Thirup, S, Polekhina, G, Reshetnikova, L, Clark, B.F.C, Nyborg, J. | Deposit date: | 1995-11-16 | Release date: | 1996-12-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the ternary complex of Phe-tRNAPhe, EF-Tu, and a GTP analog. Science, 270, 1995
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1S4H
| NMR structure of cross-reactive peptides from L. braziliensis | Descriptor: | 60S acidic ribosomal protein P2 | Authors: | Soares, M.R, Bisch, P.M, Campos de Carvalho, A.C, Valente, A.P, Almeida, F.C.L. | Deposit date: | 2004-01-16 | Release date: | 2004-03-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Correlation between conformation and antibody binding: NMR structure of cross-reactive peptides from T. cruzi, human and L. braziliensis Febs Lett., 560, 2004
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