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5RE0
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BU of 5re0 by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 57
分子名称: Endothiapepsin
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RBR
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BU of 5rbr by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library C04a
分子名称: 2-hydrazinyl-4-methoxypyrimidine, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RC6
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BU of 5rc6 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F08b
分子名称: 4-[(methylamino)methyl]phenol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCL
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BU of 5rcl by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 06
分子名称: Endothiapepsin
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RCU
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BU of 5rcu by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 16
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDB
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BU of 5rdb by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 33
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ...
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDP
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BU of 5rdp by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 41
分子名称: Endothiapepsin
著者Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G.
登録日2020-03-24
公開日2020-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5ROJ
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BU of 5roj by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo59
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROE
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BU of 5roe by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo6
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROQ
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BU of 5roq by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROF
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BU of 5rof by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C11a
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROH
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BU of 5roh by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo61
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPL
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BU of 5rpl by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen C8a
分子名称: (4-methoxycarbonylphenyl)methylazanium, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPS
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BU of 5rps by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo60
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPV
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BU of 5rpv by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo35
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROI
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BU of 5roi by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo30
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROK
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BU of 5rok by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo37
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROP
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BU of 5rop by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen A12a at Room Temperature
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPY
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BU of 5rpy by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo10
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROO
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BU of 5roo by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo73
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPT
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BU of 5rpt by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo9
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROT
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BU of 5rot by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo1
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROV
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BU of 5rov by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo62
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPP
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BU of 5rpp by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo44
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPX
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BU of 5rpx by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo43
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021

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件を2025-07-09に公開中

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