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8PCN
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BU of 8pcn by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 100 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
8PC9
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BU of 8pc9 by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native.
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
8PCL
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BU of 8pcl by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 50 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
8PCQ
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BU of 8pcq by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 500 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
8PCC
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BU of 8pcc by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 100 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite: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
8PCV
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BU of 8pcv by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 10000 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
8PCB
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BU of 8pcb by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 80 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite: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
8PCO
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BU of 8pco by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 150 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION, ...
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
8EBR
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BU of 8ebr by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 30ms
Descriptor: Beta-lactamase, PHOSPHATE ION, SULBACTAM, ...
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EC4
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BU of 8ec4 by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 240ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8EBI
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BU of 8ebi by Molmil
XFEL structure of beta lactamase microcrystals mixed with sulbactam solution for 15ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-08-31
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8ECF
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BU of 8ecf by Molmil
Cryo structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 hours
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2022-09-01
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.736 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
6WEB
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BU of 6web by Molmil
Multi-Hit SFX using MHz XFEL sources
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Holmes, S, Darmanin, C, Abbey, B.
Deposit date:2020-04-01
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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
5E79
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BU of 5e79 by Molmil
Macromolecular diffractive imaging using imperfect crystals
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
Deposit date:2015-10-12
Release date:2017-02-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5E7C
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BU of 5e7c by Molmil
Macromolecular diffractive imaging using imperfect crystals - Bragg data
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Ayyer, K, Yefanov, O, Oberthuer, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffner, A, Doerner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Robinson, J.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N.
Deposit date:2015-10-12
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Macromolecular diffractive imaging using imperfect crystals.
Nature, 530, 2016
5TRX
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BU of 5trx by Molmil
Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Oberthuer, D, Tolstikova, A, Mariani, V.
Deposit date:2016-10-27
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Double-flow focused liquid injector for efficient serial femtosecond crystallography
Sci. Rep., 7, 2017
7TUM
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BU of 7tum by Molmil
Multi-Hit SFX using MHz XFEL sources- first hit
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, SODIUM ION
Authors:Darmanin, C, Holmes, S, Abbey, B.
Deposit date:2022-02-03
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
6ZI5
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BU of 6zi5 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
8R7M
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BU of 8r7m by Molmil
CTX-M14 in complex with boric acid and 1,2-diol boric ester
Descriptor: BORIC ACID, Beta-lactamase, GLYCEROL, ...
Authors:Werner, N, Prester, A, Hinrichs, W, Perbandt, M, Betzel, C.
Deposit date:2023-11-26
Release date:2024-01-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1 Å)
Cite: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
4N4Z
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BU of 4n4z by Molmil
Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L.
Deposit date:2013-10-08
Release date:2014-02-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
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

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