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
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5RC7
 | | PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a | | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 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 (0.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RCN
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 08 | | 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 (1.03 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RD3
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 25 | | 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 (0.93 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RDK
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 44 | | 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 (1.03 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5RE0
 | | PanDDA analysis group deposition -- Endothiapepsin ground state model 57 | | 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
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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
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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
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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
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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
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5ROK
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo37 | | 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
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5ROP
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature | | 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 (1.64 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROT
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo1 | | 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
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5ROV
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo62 | | 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
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5ROU
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo72 | | 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 (1.06 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROX
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo24 | | 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 (1.12 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5ROY
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo22 | | 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
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5RP0
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo57 | | 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 (1.03 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP1
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo36 | | 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 (1.11 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP2
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo20 | | 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 (1.1 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP3
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo14 | | 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
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5RP7
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen D12a | | Descriptor: | N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-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 (1.15 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP8
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo46 | | 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 (1.03 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RP9
 | | PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B7a | | Descriptor: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole, 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 (1.48 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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5RPB
 | | PanDDA analysis group deposition -- Proteinase K crystal structure Apo68 | | 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 (1.64 Å) | | Cite: | FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
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