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4ETA
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BU of 4eta by Molmil
Lysozyme, room temperature, 400 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ET8
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BU of 4et8 by Molmil
Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETB
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BU of 4etb by Molmil
lysozyme, room temperature, 200 kGy dose
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4ETE
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BU of 4ete by Molmil
Lysozyme, room-temperature, rotating anode, 0.0021 MGy
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
Deposit date:2012-04-24
Release date:2012-06-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
6PFY
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BU of 6pfy by Molmil
Membrane Protein Megahertz Crystallography at the European XFEL, Photosystem I at synchrotron to 2.9 A
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R.
Deposit date:2019-06-23
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Membrane protein megahertz crystallography at the European XFEL.
Nat Commun, 10, 2019
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8S8X
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BU of 8s8x by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
8S8W
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BU of 8s8w by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-07
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EMJ
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BU of 9emj by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EML
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BU of 9eml by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
Deposit date:2024-03-08
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EMV
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BU of 9emv by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog)
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-11
Release date:2024-03-20
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
9EUN
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BU of 9eun by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S.
Deposit date:2024-03-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development
To Be Published
6VWV
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BU of 6vwv by Molmil
Transitional unit cell 2 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
6VWT
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BU of 6vwt by Molmil
Transitional unit cell 1 of adenine riboswitch aptamer crystal phase transition upon ligand binding
Descriptor: ADENINE, MAGNESIUM ION, adenine riboswitch aptamer variant
Authors:Stagno, J.R, Wang, Y.-X.
Deposit date:2020-02-20
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Synchronous RNA conformational changes trigger ordered phase transitions in crystals.
Nat Commun, 12, 2021
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
Authors:Li, D, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXX
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BU of 4uxx by Molmil
Structure of delta4-DgkA with AMPPCP in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Li, D, Vogeley, L, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
Authors:Li, D, Howe, N, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UYO
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BU of 4uyo by Molmil
Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CITRATE ANION, ...
Authors:Li, D, Howe, N, Other, O, Caffrey, M.
Deposit date:2014-09-02
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4WLA
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BU of 4wla by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
4WL9
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BU of 4wl9 by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Tenboer, J, Schmidt, M.
Deposit date:2014-10-06
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014

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