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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
5P1D	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 96 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 (1.279 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P1R	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 110 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
5P24	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 122 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
5P2I	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 136 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 (1.428 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P2X	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 150 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 (1.399 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P3C	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 165 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 (1.266 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P3R	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 180 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 (1.369 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P45	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 194 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 (1.189 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P4G	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 205 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 (1.159 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P4U	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 219 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
5P5A	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 235 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 (1.268 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P5O	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 249 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 (1.199 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P64	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 265 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 (1.069 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P6L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 282 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 (1.049 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P6Z	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 296 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 (1.279 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P7D	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 310 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 (1.169 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P7T	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 326 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 (1.459 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P86	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 339 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 (1.33 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P8L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 354 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 (1.239 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5QCU	Crystal structure of BACE complex with BMC022 Descriptor: (2R,4S)-N-butyl-4-[(5S,8S,10R)-5,10-dimethyl-3,3,6-trioxo-3lambda~6~-thia-7-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-8-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1 Authors: Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-12-01 Release date: 2020-06-03 Last modified: 2021-02-10 Method: X-RAY DIFFRACTION (1.951 Å) Cite: D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
5QD6	Crystal structure of BACE complex with BMC004 Descriptor: (3S,14R,16S)-16-[1,1-dihydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione, Beta-secretase 1 Authors: Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-12-01 Release date: 2020-06-03 Last modified: 2021-02-10 Method: X-RAY DIFFRACTION (2.51 Å) Cite: D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
5QD1	Crystal structure of BACE complex with BMC011 Descriptor: (10S,12S)-12-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-17-(methoxymethyl)-10-methyl-7-oxa-2,13-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-14-one, Beta-secretase 1 Authors: Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. Deposit date: 2017-12-01 Release date: 2020-06-03 Last modified: 2021-02-10 Method: X-RAY DIFFRACTION (2.4 Å) Cite: D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
5QBA	Crystal structure of Endothiapepsin-FRG134 complex Descriptor: 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Huschmann, F. Deposit date: 2017-08-04 Release date: 2020-04-22 Last modified: 2021-11-17 Method: X-RAY DIFFRACTION (1.338 Å) Cite: Crystal structure of Endothiapepsin To be published

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