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6RXH
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BU of 6rxh by Molmil
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Aspartate alpha-decarboxylase
分子名称: Aspartate 1-decarboxylase, UNKNOWN ATOM OR ION
著者Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M.
登録日2019-06-08
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow.
Iucrj, 7, 2020
6RXI
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BU of 6rxi by Molmil
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Lysozyme
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C, ...
著者Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M.
登録日2019-06-08
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow.
Iucrj, 7, 2020
8FUH
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BU of 8fuh by Molmil
Rubrerythrin from B. pseudomallei: apo form
分子名称: DI(HYDROXYETHYL)ETHER, Rubrerythrin
著者Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
登録日2023-01-17
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Rubrerythrin from B. pseudomallei: apo form
To Be Published
8FVV
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BU of 8fvv by Molmil
Rubrerythrin from B. pseudomallei: iron-bound
分子名称: FE (III) ION, Rubrerythrin
著者Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
登録日2023-01-19
公開日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Rubrerythrin from B. pseudomallei: iron-bound
To Be Published
8FXD
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BU of 8fxd by Molmil
Rubrerythrin from B. pseudomallei: manganese-bound
分子名称: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Rubrerythrin
著者Monteiro, D.C.F, Snell, M.E, Budziszewski, G.R, Bowman, S.E.J.
登録日2023-01-24
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rubrerythrin from B. pseudomallei: manganese-bound
To Be Published
6H79
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BU of 6h79 by Molmil
SSX structure of Lysozyme in flow - metal-kapton microfluidic device
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Monteiro, D.C.F, Trebbin, M.
登録日2018-07-30
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A microfluidic flow-focusing device for low sample consumption serial synchrotron crystallography experiments in liquid flow.
J.Synchrotron Radiat., 26, 2019
4CRY
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BU of 4cry by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Direct Visualisation of Strain-Induced Protein Post-Translational Modification
To be Published
5LS7
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BU of 5ls7 by Molmil
Complex of wild type E. coli alpha aspartate decarboxylase with its processing factor PanZ
分子名称: ACETYL COENZYME *A, Aspartate 1-decarboxylase, CARBON DIOXIDE, ...
著者Monteiro, D.C.F, Webb, M.E, Pearson, A.R.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献The Mechanism of Regulation of Pantothenate Biosynthesis by the PanD-PanZAcCoA Complex Reveals an Additional Mode of Action for the Antimetabolite N-Pentyl Pantothenamide (N5-Pan).
Biochemistry, 56, 2017
4AON
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BU of 4aon by Molmil
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
分子名称: ASPARTATE-ALPHA-DECARBOXYLASE ALPHA CHAIN, ASPARTATE-ALPHA-DECARBOXYLASE BETA CHAIN, GLUTAMIC ACID
著者Yorke, B.A, Monteiro, D.C.F, Pearson, A.R, Webb, M.E.
登録日2012-03-29
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Dynamics of Aspartate Alpha Decarboxylase Active Site Revealed by Protein-Ligand Complexes
To be Published
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2021-02-05
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4AOK
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BU of 4aok by Molmil
Conformational dynamics of aspartate alpha-decarboxylase active site revealed by protein-ligand complexes: 1-methyl-L-aspartate complex
分子名称: ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN
著者Yorke, B.A, Monteiro, D.C.F, Pearson, A.R, Webb, M.E.
登録日2012-03-28
公開日2012-10-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Conformational Dynamics of Aspartate Alpha Decarboxylase Active Site Revealed by Protein-Ligand Complexes
To be Published
4D7Z
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BU of 4d7z by Molmil
E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms
分子名称: ASPARTATE 1-DECARBOXYLASE ALPHA CHAIN, ASPARTATE 1-DECARBOXYLASE BETA CHAIN, DI(HYDROXYETHYL)ETHER, ...
著者Bravo, J.P.K, Monteiro, D.C.F, Webb, M.E, Pearson, A.R.
登録日2014-12-02
公開日2016-01-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structure of the E. Coli L-Aspartate-Alpha-Decarboxylase Mutant N72Q to a Resolution of 1.9 Angstroms
To be Published
7ADQ
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BU of 7adq by Molmil
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
分子名称: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A.
登録日2020-09-15
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
4CRZ
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BU of 4crz by Molmil
Direct visualisation of strain-induced protein prost-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
4CS0
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BU of 4cs0 by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
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
7JOR
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BU of 7jor by Molmil
Neutron structure of ferric Dehaloperoxidase B
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE
著者Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.A.A.
登録日2020-08-07
公開日2021-09-08
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2.05 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 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
6WEC
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BU of 6wec by Molmil
Multi-Hit SFX using MHz XFEL sources
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Holmes, S, Darmanin, C, Abbey, B.
登録日2020-04-01
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 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
6YNQ
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BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
分子名称: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-04-14
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7KCU
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BU of 7kcu by Molmil
Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B
分子名称: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.
登録日2020-10-07
公開日2021-10-13
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
7KFM
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BU of 7kfm by Molmil
Room temperature oxyferrous Dehaloperoxidase B
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, OXYGEN MOLECULE, ...
著者Carey, L.M, Ghiladi, R.A.
登録日2020-10-14
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
登録日2018-02-23
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.76000106 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6GTH
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BU of 6gth by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
著者Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H.
登録日2018-06-18
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Megahertz serial crystallography.
Nat Commun, 9, 2018
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
分子名称: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-04-28
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021

 

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