8AWU
 
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 250ms | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-08-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWY
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose Isomerase with 2,3-butanediol at 50ms | | Descriptor: | MAGNESIUM ION, Meso-2,3-Butanediol, Xylose isomerase | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-08-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWC
 | | Xylose Isomerase in 85% relative humidity environment | | Descriptor: | GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-08-29 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B08
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B03
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B05
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, INDOLE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8B06
 | | TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec | | Descriptor: | CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | | Deposit date: | 2022-09-07 | | Release date: | 2023-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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6QNB
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6QND
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 60 s timepoint | | Descriptor: | COBALT (II) ION, D-glucose, MAGNESIUM ION, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6QNI
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.846 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6QNH
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0ms timepoint | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6QNC
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-10 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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6QNJ
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 s timepoint | | Descriptor: | COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ... | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-02-11 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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7A43
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7A45
 | | CO-bound sperm whale myoglobin measured by serial femtosecond crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | | Deposit date: | 2020-08-19 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
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7A44
 | | CO-bound sperm whale myoglobin measured by serial synchrotron crystallography | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Mehrabi, P, Schulz, E.C, Buecker, R. | | Deposit date: | 2020-08-19 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
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7A42
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6QKU
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.511 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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6QKW
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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6QKT
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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6QKS
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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6YNQ
 | | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | | Authors: | 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. | | Deposit date: | 2020-04-14 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6YVF
 | | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2020-04-28 | | Release date: | 2020-05-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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6S2N
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6S2O
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