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PDB: 1718 件

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2021-06-23
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
5RC7
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BU of 5rc7 by Molmil
PanDDA analysis group deposition -- Endothiapepsin changed state model for fragment F2X-Entry Library F11a
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, 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2020-06-17
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
5RCN
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BU of 5rcn by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 08
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2020-06-17
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
5RD3
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BU of 5rd3 by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 25
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2020-06-17
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5RDK
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BU of 5rdk by Molmil
PanDDA analysis group deposition -- Endothiapepsin ground state model 44
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2020-06-17
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
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2020-06-17
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
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2021-06-23
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
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2021-06-23
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2021-06-23
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
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2021-06-23
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2021-06-23
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2021-06-23
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
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2021-06-23
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2021-06-23
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
5ROU
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BU of 5rou by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo72
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2021-06-23
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROX
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BU of 5rox by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo24
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2021-06-23
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROY
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BU of 5roy by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo22
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2021-06-23
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
5RP0
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BU of 5rp0 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo57
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2021-06-23
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP1
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BU of 5rp1 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo36
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2021-06-23
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP2
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BU of 5rp2 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo20
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2021-06-23
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
5RP3
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BU of 5rp3 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo14
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2021-06-23
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
5RP7
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BU of 5rp7 by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen D12a
分子名称: N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine, 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2021-06-23
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP8
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BU of 5rp8 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo46
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2021-06-23
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RP9
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BU of 5rp9 by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B7a
分子名称: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole, 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2021-06-23
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPB
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BU of 5rpb by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo68
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2021-06-23
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

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件を2024-07-10に公開中

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