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7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
分子名称: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
著者Darmanin, C, Holmes, S, Abbey, B.
登録日2022-02-03
公開日2022-07-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6QXW
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BU of 6qxw by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 24344 patterns merged (3 chips)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QXY
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BU of 6qxy by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 8813 patterns merged (1 chip)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY2
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BU of 6qy2 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 750 patterns merged
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY5
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BU of 6qy5 by Molmil
Pink beam serial crystallography: Lysozyme, 1 us exposure, 4448 patterns merged (1 chip)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY0
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BU of 6qy0 by Molmil
Pink beam serial crystallography: Lysozyme, 5 us exposure, 3000 patterns merged
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
6QY4
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BU of 6qy4 by Molmil
Pink beam serial crystallography: Lysozyme, 1 us exposure, 14793 patterns merged
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Lieske, J, Tolstikova, A, Meents, A.
登録日2019-03-08
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector.
Iucrj, 6, 2019
1YKR
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BU of 1ykr by Molmil
Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor
分子名称: 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE, Cell division protein kinase 2
著者Hamdouchi, C, Zhong, B, Mendoza, J, Jaramillo, C, Zhang, F, Brooks, H.B.
登録日2005-01-18
公開日2006-01-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15, 2005
5CGA
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BU of 5cga by Molmil
Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(1,3,5-trimethyl-1H-pyrazole-4-yl)ethanol
分子名称: 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol, Hydroxyethylthiazole kinase, MAGNESIUM ION
著者Kuenz, M, Drebes, J, Windshuegel, B, Cang, H, Wrenger, C, Betzel, C.
登録日2015-07-09
公開日2016-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
5CGE
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BU of 5cge by Molmil
Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(2-methyl-1H-imidazole-1-yl)ethanol
分子名称: 2-(2-methyl-1H-imidazol-1-yl)ethanol, Hydroxyethylthiazole kinase, MAGNESIUM ION
著者Kuenz, M, Drebes, J, Windshuegel, B, Cang, H, Wrenger, C, Betzel, C.
登録日2015-07-09
公開日2016-03-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
6S2N
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BU of 6s2n by Molmil
Hen egg-white lysozyme by serial electron diffraction
分子名称: Lysozyme C
著者Buecker, R, Mehrabi, P, Schulz, E.C, Hogan-Lamarre, P.
登録日2019-06-21
公開日2020-04-29
最終更新日2020-11-18
実験手法ELECTRON CRYSTALLOGRAPHY (1.8 Å)
主引用文献Serial protein crystallography in an electron microscope.
Nat Commun, 11, 2020
6S2O
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BU of 6s2o by Molmil
Granulovirus occlusion bodies by serial electron diffraction
分子名称: Granulin
著者Buecker, R, Mehrabi, P, Schulz, E.C, Hogan-Lamarre, P.
登録日2019-06-21
公開日2020-04-29
最終更新日2020-11-18
実験手法ELECTRON CRYSTALLOGRAPHY (1.55 Å)
主引用文献Serial protein crystallography in an electron microscope.
Nat Commun, 11, 2020
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
分子名称: BORIC ACID, Beta-lactamase, GLYCEROL, ...
著者Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
登録日2023-11-26
公開日2024-01-17
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
4J63
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BU of 4j63 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanone: One of twelve in MSCS set
分子名称: CYCLOHEXANONE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J67
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BU of 4j67 by Molmil
Crystal structure of Ribonuclease A soaked in 50% 1,6-Hexanediol: One of twelve in MSCS set
分子名称: HEXANE-1,6-DIOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J60
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BU of 4j60 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Cyclopentanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanol
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J64
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BU of 4j64 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set
分子名称: 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J6A
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BU of 4j6a by Molmil
Crystal structure of Ribonuclease A soaked in 40% 2,2,2-Trifluoroethanol: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, TRIFLUOROETHANOL
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J62
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BU of 4j62 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclohexanol: One of twelve in MSCS set
分子名称: CYCLOHEXANOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J69
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BU of 4j69 by Molmil
Crystal structure of Ribonuclease A soaked in 50% S,R,S-bisfuranol: One of twelve in MSCS set
分子名称: (3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J61
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BU of 4j61 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Cyclopentanone: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION, cyclopentanone
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J66
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BU of 4j66 by Molmil
Crystal structure of Ribonuclease A soaked in 25% Dimethyl sulfoxide: One of twelve in MSCS set
分子名称: DIMETHYL SULFOXIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J68
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BU of 4j68 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Isopropanol: One of twelve in MSCS set
分子名称: ISOPROPYL ALCOHOL, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J5Z
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BU of 4j5z by Molmil
Crystal structure of Ribonuclease A in aqueous solution: One of twelve in MSCS set
分子名称: Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published
4J65
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BU of 4j65 by Molmil
Crystal structure of Ribonuclease A soaked in 40% Dimethylformamide: One of twelve in MSCS set
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic, SULFATE ION
著者Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C.
登録日2013-02-11
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.958 Å)
主引用文献DRoP: A program for analysis of water structure on protein surfaces
to be published

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件を2024-09-04に公開中

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