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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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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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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8QVI
| Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | Descriptor: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | Deposit date: | 2023-10-18 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring serial crystallography for drug discovery To Be Published
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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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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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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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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: | 2024-01-31 | 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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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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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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7PNC
| 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: | 2024-01-31 | 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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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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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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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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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: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Ultrafast structural changes within a photosynthetic reaction centre. Nature, 589, 2021
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7ZOI
| Carbohydrate binding domain CBM92-A from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | Descriptor: | Glycoside hydrolase family 18 | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-25 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOO
| Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZON
| Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose | Descriptor: | Glycoside hydrolase family 18, PENTAETHYLENE GLYCOL, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOH
| Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 | Descriptor: | Glycoside hydrolase family 18 | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-25 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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7ZOP
| Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose. | Descriptor: | Glycoside hydrolase family 18, beta-D-glucopyranose | Authors: | Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J. | Deposit date: | 2022-04-26 | Release date: | 2023-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans. Nat Commun, 15, 2024
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6XYZ
| Crystal structure of the GH18 chitinase ChiB from the chitin utilization locus of Flavobacterium johnsoniae | Descriptor: | 1,2-ETHANEDIOL, Candidate chitinase Glycoside hydrolase family 18, FORMIC ACID | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V, Pope, P, Branden, G, Larsbrink, J. | Deposit date: | 2020-01-31 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
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6YHH
| X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | Deposit date: | 2020-03-30 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae. Sci Rep, 10, 2020
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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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