4NY4
 
 | | Crystal structure of CYP3A4 in complex with an inhibitor | | Descriptor: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Branden, G, Sjogren, T, Xue, Y. | | Deposit date: | 2013-12-10 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
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4NZ2
 | | Crystal structure of CYP2C9 in complex with an inhibitor | | Descriptor: | (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ... | | Authors: | Branden, G, Sjogren, T, Xue, Y. | | Deposit date: | 2013-12-11 | | Release date: | 2014-08-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
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4YYZ
 | | 11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Branden, G, Boden, C, Ogg, D. | | Deposit date: | 2015-03-24 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.
Medchemcomm, 6, 2016
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8K65
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2023-07-25 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8K6Y
 | | Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2023-07-25 | | Release date: | 2023-11-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8AJZ
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2022-07-29 | | Release date: | 2023-08-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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8HUA
 | | Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R. | | Deposit date: | 2022-12-22 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 2023
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8QQO
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7NTL
 | | AA9 lytic polysaccharide monooxygenase (LPMO) from Malbranchea cinnamomea | | Descriptor: | CITRIC ACID, COPPER (II) ION, LPMO9F | | Authors: | Mazurkewich, S, Seveso, A, Huttner, S, Branden, G, Larsbrink, L. | | Deposit date: | 2021-03-10 | | Release date: | 2021-08-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure of a C1/C4-oxidizing AA9 lytic polysaccharide monooxygenase from the thermophilic fungus Malbranchea cinnamomea.
Acta Crystallogr D Struct Biol, 77, 2021
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7PNC
 | | Continuous dark state structure of Sensory Rhodopsin II solved by serial millisecond crystallography | | Descriptor: | CHLORIDE ION, RETINAL, Sensory rhodopsin-2, ... | | Authors: | Bosman, R, Ortolani, G, Branden, G, Neutze, R. | | Deposit date: | 2021-09-06 | | Release date: | 2022-09-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of the prolonged photocycle of Sensory Rhodopsin II revealed by serial millisecond crystallography
To Be Published
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5NJ4
 | | From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Dods, R, Baath, P, Branden, G, Neutze, R. | | Deposit date: | 2017-03-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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5O4C
 | | From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Dods, R, Baath, P, Branden, G, Neutze, R. | | Deposit date: | 2017-05-28 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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5O64
 | | From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Dods, R, Baath, P, Branden, G, Neutze, R. | | Deposit date: | 2017-06-05 | | Release date: | 2017-08-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
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8QVH
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QVF
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea, Bifunctional epoxide hydrolase 2 | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QWG
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QVL
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, Bifunctional epoxide hydrolase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QVG
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QVK
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QWI
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, Bifunctional epoxide hydrolase 2, SULFATE ION | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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8QVM
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, TRIETHYLENE GLYCOL | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Exploring serial crystallography for drug discovery.
Iucrj, 11, 2024
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7B6B
 | | The carbohydrate binding module family 48 (CBM48) and carboxy-terminal carbohydrate esterase family 1 (CE1) domains of the multidomain esterase DmCE1B from Dysgonomonas mossii in complex with methyl ferulate | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Carbohydrate Esterase family 1 protein with an N-terminal carbohydrate binding module family 48, ... | | Authors: | Mazurkewich, S, Kmezik, C, Branden, G, Larsbrink, J. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A polysaccharide utilization locus from the gut bacterium Dysgonomonas mossii encodes functionally distinct carbohydrate esterases.
J.Biol.Chem., 296, 2021
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7B5V
 | | The carbohydrate binding module family 48 (CBM48) and carboxy-terminal carbohydrate esterase family 1 (CE1) domains of the multidomain esterase DmCE1B from Dysgonomonas mossii | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Carbohydrate Esterase family 1 protein with an N-terminal carbohydrate binding module family 48, ... | | Authors: | Mazurkewich, S, Kmezik, C, Branden, G, Larsbrink, J. | | Deposit date: | 2020-12-07 | | Release date: | 2021-03-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A polysaccharide utilization locus from the gut bacterium Dysgonomonas mossii encodes functionally distinct carbohydrate esterases.
J.Biol.Chem., 296, 2021
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6ZHW
 | | Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Baath, P, Dods, R, Branden, G, Neutze, R. | | Deposit date: | 2020-06-23 | | Release date: | 2020-12-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
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5NDC
 | | Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide IIA, ... | | Authors: | Andersson, R, Safari, C, Dods, R, Nango, E, Tanaka, R, Nakane, T, Tono, K, Joti, Y, Bath, P, Dunevall, E, Bosman, E, Nureki, O, Iwata, S, Neutze, R, Branden, G. | | Deposit date: | 2017-03-08 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature.
Sci Rep, 7, 2017
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