PDB: 1562 resultsInfo pagesStatus searchChemie searchBIRD

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5R3G	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 40, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.106 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3X	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 57, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.165 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R24	PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry F04, DMSO-free Descriptor: Endothiapepsin, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.19 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2J	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 06, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.007 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R2Y	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 22, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (1.008 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3D	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 37, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2020-07-08 Method: X-RAY DIFFRACTION (0.979 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5R3T	PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 53, DMSO-Free Descriptor: Endothiapepsin Authors: Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. Deposit date: 2020-02-13 Release date: 2020-06-03 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.069 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RC0	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library E06a Descriptor: (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.03 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCD	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library H03a Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.02 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCT	PanDDA analysis group deposition -- Endothiapepsin ground state model 15 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.01 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RD9	PanDDA analysis group deposition -- Endothiapepsin ground state model 31 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.11 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDS	PanDDA analysis group deposition -- Endothiapepsin ground state model 49 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (0.97 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RBV	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library D04a Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2024-04-24 Method: X-RAY DIFFRACTION (0.98 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCB	PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library G09a Descriptor: (2R)-2-(acetylamino)-4-phenylbutanoic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (0.99 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RCR	PanDDA analysis group deposition -- Endothiapepsin ground state model 13 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.05 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RD7	PanDDA analysis group deposition -- Endothiapepsin ground state model 29 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.03 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RDL	PanDDA analysis group deposition -- Endothiapepsin ground state model 45 Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (1.09 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5RE1	PanDDA analysis group deposition -- Endothiapepsin ground state model 58 Descriptor: Endothiapepsin Authors: Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. Deposit date: 2020-03-24 Release date: 2020-06-03 Last modified: 2020-06-17 Method: X-RAY DIFFRACTION (0.97 Å) Cite: F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
5P5R	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 252 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 (1.308 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P66	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 267 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (1.187 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P48	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 197 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 (1.17 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P4L	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 210 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 (1.079 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P50	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 225 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 (1.119 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016
5P5I	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 243 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
5P6K	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 281 Descriptor: endothiapepsin Authors: Schiebel, J, Heine, A, Klebe, G. Deposit date: 2016-06-28 Release date: 2016-08-03 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.607 Å) Cite: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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