5RCL
| PanDDA analysis group deposition -- Endothiapepsin ground state model 06 | 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 (1.01 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RCU
| PanDDA analysis group deposition -- Endothiapepsin ground state model 16 | 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 (1.1 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RDB
| PanDDA analysis group deposition -- Endothiapepsin ground state model 33 | 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 (1.04 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
5RDP
| PanDDA analysis group deposition -- Endothiapepsin ground state model 41 | 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
|
|
5RPN
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo64 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPO
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo7 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROM
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo45 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPW
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo63 | Descriptor: | Proteinase K | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROZ
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo41 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROR
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen F1a | Descriptor: | NICOTINAMIDE, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPU
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo67 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROS
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo34 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RP6
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C2a | Descriptor: | 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RP4
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo70 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RP5
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo48 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPG
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a | Descriptor: | Proteinase K, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPR
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo15 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROQ
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a | Descriptor: | (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROJ
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo59 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROE
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo6 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPL
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a | Descriptor: | (4-methoxycarbonylphenyl)methylazanium, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROF
| PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5RPS
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo60 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROH
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo61 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|
5ROI
| PanDDA analysis group deposition -- Proteinase K crystal structure Apo30 | Descriptor: | Proteinase K, SULFATE ION | Authors: | Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U. | Deposit date: | 2020-09-23 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system. Acta Crystallogr D Struct Biol, 77, 2021
|
|