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5P4V	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 220 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.329 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P6T	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 290 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.457 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P59	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 234 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.18 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P77	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 304 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.029 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HTG	X-RAY CRYSTALLOGRAPHIC STUDIES OF A SERIES OF PENICILLIN-DERIVED ASYMMETRIC INHIBITORS OF HIV-1 PROTEASE Descriptor: 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-2-YLMETHYLCARBAMOYL)-1-BENZYL-2-HYDROXYPROPYL]-AMIDE, HIV-1 PROTEASE Authors: Jhoti, H, Wonacott, A, Murray-Rust, P. Deposit date: 1994-04-29 Release date: 1994-07-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: X-ray crystallographic studies of a series of penicillin-derived asymmetric inhibitors of HIV-1 protease. Biochemistry, 33, 1994
1WMZ	Crystal Structure of C-type Lectin CEL-I complexed with N-acetyl-D-galactosamine Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ... Authors: Sugawara, H, Kusunoki, M, Kurisu, G, Fujimoto, T, Aoyagi, H, Hatakeyama, T. Deposit date: 2004-07-22 Release date: 2004-09-07 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Characteristic Recognition of N-Acetylgalactosamine by an Invertebrate C-type Lectin, CEL-I, Revealed by X-ray Crystallographic Analysis J.Biol.Chem., 279, 2004
5P5P	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 250 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.09 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P7I	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 315 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.187 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HJ8	1.00 AA Trypsin from Atlantic Salmon Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Leiros, H.-K.S, Mcsweeney, S.M, Smalas, A.O. Deposit date: 2001-01-09 Release date: 2002-01-04 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1 Å) Cite: Atomic Resolution Structure of Trypsin Provide Insight Into Structural Radiation Damage Acta Crystallogr.,Sect.D, 57, 2001
3EZR	CDK-2 with indazole inhibitor 17 bound at its active site Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 Authors: Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. Deposit date: 2008-10-23 Release date: 2009-02-03 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor Bioorg.Med.Chem.Lett., 19, 2009
5P65	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 266 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.1 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P7X	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 330 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.469 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2AL7	Structure Of Human ADP-Ribosylation Factor-Like 10C Descriptor: ADP-ribosylation factor-like 10C, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION Authors: Ismail, S, Dimov, S, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) Deposit date: 2005-08-04 Release date: 2005-08-23 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: GTP-like conformation of GDP-bound ARL10C GTPase To be Published
5P6J	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 280 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.259 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HVO	ZINC-AND SEQUENCE-DEPENDENT BINDING TO NUCLEIC ACIDS BY THE N-TERMINAL ZINC FINGER DOMAIN OF THE HIV-1 NUCLEOCAPSID PROTEIN: NMR STRUCTURE OF THE COMPLEX WITH THE PSI-SITE ANALOG, D/ACGCC Descriptor: DNA (5'-D(P*AP*CP*GP*CP*C)-3'), Hiv-1 Nucleocapsid Zinc Finger, ZINC ION Authors: South, T.L, Summers, M.F. Deposit date: 1992-12-08 Release date: 1994-01-31 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Zinc- and sequence-dependent binding to nucleic acids by the N-terminal zinc finger of the HIV-1 nucleocapsid protein: NMR structure of the complex with the Psi-site analog, dACGCC. Protein Sci., 2, 1993
5P8C	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 345 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.299 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P8P	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 358 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.219 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P6X	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 294 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.397 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HPV	CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH VX-478, A POTENT AND ORALLY BIOAVAILABLE INHIBITOR OF THE ENZYME Descriptor: HIV-1 PROTEASE, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER Authors: Kim, E.E. Deposit date: 1994-11-18 Release date: 1995-03-31 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of HIV-1 Protease in Complex with Vx-478, a Potent and Orally Bioavailable Inhibitor of the Enzyme J.Am.Chem.Soc., 117, 1995
1HI2	Eosinophil-derived Neurotoxin (EDN) - Sulphate Complex Descriptor: EOSINOPHIL-DERIVED NEUROTOXIN, SULFATE ION Authors: Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R. Deposit date: 2001-01-02 Release date: 2001-05-31 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors J.Biol.Chem., 276, 2001
2AOG	Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P2-NC Descriptor: ACETIC ACID, GLYCEROL, HIV-1 PROTEASE (RETROPEPSIN), ... Authors: Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. Deposit date: 2005-08-12 Release date: 2006-01-17 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
5P7B	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 308 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.407 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
2AOZ	Crystal structure of the myotoxin-II from Atropoides nummifer venom Descriptor: Phospholipase A2 homolog, SULFATE ION Authors: Melo, C.C, Murakami, M.T, Angulo, Y, Lomonte, B, Arni, R.K. Deposit date: 2005-08-15 Release date: 2006-07-25 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Structure of myotoxin II, a catalytically inactive Lys49 phospholipase A2 homologue from Atropoides nummifer venom. Acta Crystallogr.,Sect.F, 62, 2006
5P7P	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 322 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.439 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
1HI5	Eosinophil-derived Neurotoxin (EDN) - Adenosine-5'-Diphosphate Complex Descriptor: ADENOSINE-5'-DIPHOSPHATE, EOSINOPHIL-DERIVED NEUROTOXIN Authors: Leonidas, D.D, Boix, E, Prill, R, Suzuki, M, Turton, R, Minson, K, Swaminathan, G.J, Youle, R.J, Acharya, K.R. Deposit date: 2001-01-02 Release date: 2001-05-31 Last modified: 2018-05-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mapping the Ribonucleolytic Active Site of Eosinophil-Derived Neurotoxin (Edn): High Resolution Crystal Structures of Edn Complexes with Adenylic Nucleotide Inhibitors J.Biol.Chem., 276, 2001

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