PDB: 1562 resultsInfo pagesStatus searchChemie searchBIRD

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4Y4E	Endothiapepsin in complex with fragment 131 Descriptor: ACETATE ION, Endothiapepsin, GLYCEROL, ... Authors: Krimmer, S.G, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Last modified: 2016-12-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y45	Endothiapepsin in complex with fragment 291 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Wang, X, Heine, A, Klebe, G. Deposit date: 2015-02-10 Release date: 2016-02-17 Method: X-RAY DIFFRACTION (1.06 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
4Y9W	Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 0.82 A Resolution. Descriptor: Aspartic acid endopeptidase Sapp2, PEPTIDE Authors: Dostal, J, Brynda, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Mareckova, L, Pichova, I. Deposit date: 2015-02-17 Release date: 2016-11-30 Last modified: 2019-09-04 Method: X-RAY DIFFRACTION (0.83 Å) Cite: Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
4YCK	Endothiapepsin in complex with fragment 211 Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Stieler, M, Heine, A, Klebe, G. Deposit date: 2015-02-20 Release date: 2016-03-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Crystallographic Fragment Screening of an Entire Library To Be Published
5MB5	Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Radeva, N, Heine, A, Klebe, G. Deposit date: 2016-11-07 Release date: 2018-01-17 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (0.98 Å) Cite: Comparison of cocktails versus single soaking experiments To Be Published
5MXD	BACE-1 IN COMPLEX WITH LIGAND 32397778 Descriptor: Beta-secretase 1, CHLORIDE ION, ~{N},~{N}-dimethyl-2-pyrrolidin-1-yl-quinazolin-4-amine Authors: Alexander, R. Deposit date: 2017-01-23 Release date: 2018-02-14 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Human Beta Secretase 1 In Complex With Ligand 32397778 to be published
5N71	CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) Descriptor: DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION Authors: Brynda, J, Hanova, I, Hobizalova, R, Mares, M. Deposit date: 2017-02-17 Release date: 2017-12-27 Last modified: 2018-03-28 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
5N7Q	CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE INHIBITOR PEPSTATIN A Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, PEPSTATIN A, ... Authors: Brynda, J, Hanova, I, Hobizalova, R, Mares, M. Deposit date: 2017-02-21 Release date: 2017-12-27 Last modified: 2018-06-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
5NFG	Structure of recombinant cardosin B from Cynara cardunculus Descriptor: Procardosin-B,Procardosin-B, alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]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, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Authors: Pereira, P.J.B, Figueiredo, A.C, Manso, J.A, Almeida, C.M, Simoes, I. Deposit date: 2017-03-14 Release date: 2017-10-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.375 Å) Cite: Functional and structural characterization of synthetic cardosin B-derived rennet. Appl. Microbiol. Biotechnol., 101, 2017
5OJE	Endothiapepsin with Ligand VSK-B24 Descriptor: (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A. Deposit date: 2017-07-21 Release date: 2018-09-12 Last modified: 2018-11-21 Method: X-RAY DIFFRACTION (1.579 Å) Cite: Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin. ChemMedChem, 13, 2018
5OYU	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 5 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 (1.25 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZ3	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 14 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 (1.754 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZC	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 23 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 (1.709 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OYX	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 8 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 (1.654 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZ7	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 18 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 (1.608 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZI	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 29 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 (1.5 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZT	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 40 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 (1.8 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P06	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 53 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 (1.319 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OYZ	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 10 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 (1.487 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZ9	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 20 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 (1.609 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZL	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 32 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 (1.74 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5OZW	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 43 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 (1.54 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P09	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 56 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 (1.609 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 68 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 (1.508 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P0Z	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 82 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 (1.26 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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