6I91
| Dye type peroxidase Aa from Streptomyces lividans: 156.8 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-22 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation sensitive metalloproteins To be published
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6I8O
| Dye type peroxidase Aa from Streptomyces lividans: 39.2kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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7MHI
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHK
| Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9601 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHJ
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity | Descriptor: | 3C-like proteinase, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.0005 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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7MHH
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A. | Deposit date: | 2021-04-15 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1908 Å) | Cite: | The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ). Iucrj, 9, 2022
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8DU7
| Room-temperature serial synchrotron crystallography (SSX) structure of apo PTP1B | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Sharma, S, Keedy, D.A. | Deposit date: | 2022-07-27 | Release date: | 2022-08-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Room-temperature serial synchrotron crystallography of the human phosphatase PTP1B. Acta Crystallogr.,Sect.F, 79, 2023
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4XNN
| Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL | Authors: | Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E. | Deposit date: | 2015-01-15 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex To Be Published
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8SLS
| Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | Deposit date: | 2023-04-24 | Release date: | 2023-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase. Biorxiv, 2023
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8SLU
| Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | Deposit date: | 2023-04-24 | Release date: | 2023-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase. Biorxiv, 2023
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8SLT
| Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa) | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | Deposit date: | 2023-04-24 | Release date: | 2023-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase. Biorxiv, 2023
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6XPG
| Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography | Descriptor: | Lysophospholipase L1 | Authors: | Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2020-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography To Be Published
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7ADX
| SFX structure of dehaloperoxidase B in the oxyferrous form | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-16 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form To Be Published
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6QWG
| Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L. | Deposit date: | 2019-03-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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7BH4
| XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH5
| XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHN
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7BHM
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7BH7
| Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH6
| Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24 | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BH3
| XFEL structure of CTX-M-15 resting state | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | Deposit date: | 2021-01-10 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography. Nat Commun, 12, 2021
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7BHK
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7BHL
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7JOR
| Neutron structure of ferric Dehaloperoxidase B | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D.A.A. | Deposit date: | 2020-08-07 | Release date: | 2021-09-08 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (2.05 Å) | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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7KCU
| Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | Deposit date: | 2020-10-07 | Release date: | 2021-10-13 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature. Iucrj, 9, 2022
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