6QHW
 
 | | Time resolved structural analysis of the full turnover of an enzyme - 4512 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHY
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHZ
 | | Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHT
 | | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI2
 | | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHP
 | | Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1 | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHX
 | | Time resolved structural analysis of the full turnover of an enzyme - 6156 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHU
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI1
 | | Time resolved structural analysis of the full turnover of an enzyme - 12312 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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5O2I
 | | An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mueller-Werkmeister, H, Mehrabi, P, Pai, E.F, Miller, R.J.D. | | Deposit date: | 2017-05-20 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation
To Be Published
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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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7NEV
 | | Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | 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. | | Deposit date: | 2021-02-05 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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4H4A
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7NJJ
 | | Proteinase K grown inside HARE serial crystallography chip | | Descriptor: | NITRATE ION, Proteinase K | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NJE
 | | gamma(S)-crystallin 9-site deamidation mutant grown inside HARE serial crystallography chip | | Descriptor: | Gamma-crystallin S | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NJF
 | | Hen egg white lysozyme (HEWL) grown inside HARE serial crystallography chip | | Descriptor: | Lysozyme, SODIUM ION | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NJH
 | | HEX1 (in cellulo) grown inside HARE serial crystallography chip | | Descriptor: | Woronin body major protein | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NKF
 | | Hen egg white lysozyme (HEWL) Grown inside (Not centrifuged) HARE serial crystallography chip. | | Descriptor: | Lysozyme, SODIUM ION | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-17 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NJG
 | | Xylose isomerase grown inside HARE serial crystallography chip | | Descriptor: | COBALT (II) ION, Xylose isomerase | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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7NJI
 | | HEX1 (in cellulo) loaded on HARE serial crystallography chip | | Descriptor: | Woronin body major protein | | Authors: | Norton-Baker, B, Mehrabi, P, Boger, J, Schonherr, R, von Stetten, D, Schikora, H, Martin, R.W, Miller, R.J.D, Redecke, L, Schulz, E.C. | | Deposit date: | 2021-02-16 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A simple vapor-diffusion method enables protein crystallization inside the HARE serial crystallography chip.
Acta Crystallogr D Struct Biol, 77, 2021
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8AW9
 | | Xylose Isomerase in 75% 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 (1.62 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AW8
 | | Xylose Isomerase in 70% 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 (1.63 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWE
 | | Xylose Isomerase in 99% 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 (1.7 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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8AWS
 | | Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 50ms | | 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 (2.26 Å) | | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
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