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4NZ2
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BU of 4nz2 by Molmil
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
4NY4
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BU of 4ny4 by Molmil
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
8AJZ
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BU of 8ajz by Molmil
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
7NTL
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BU of 7ntl by Molmil
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
8K65
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BU of 8k65 by Molmil
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
8K6Y
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BU of 8k6y by Molmil
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
5NJ4
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BU of 5nj4 by Molmil
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
8QVI
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BU of 8qvi by Molmil
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
8HUA
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BU of 8hua by Molmil
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:2023-04-26
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
7PNC
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BU of 7pnc by Molmil
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
8QQO
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BU of 8qqo by Molmil
Continuously illuminated structure of Sensory Rhodopsin II solved by serial millisecond crystallography
Descriptor: RETINAL, Sensory rhodopsin-2
Authors:Bosman, R, Ortolani, G, Branden, G, Neutze, R.
Deposit date:2023-10-05
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural basis of the prolonged photocycle of Sensory Rhodopsin II revealed by serial millisecond crystallography
To Be Published
6ZHW
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BU of 6zhw by Molmil
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
5O4C
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BU of 5o4c by Molmil
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
5O64
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BU of 5o64 by Molmil
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
5NDC
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BU of 5ndc by Molmil
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
7B6B
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BU of 7b6b by Molmil
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
7B5V
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BU of 7b5v by Molmil
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
6XYZ
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BU of 6xyz by Molmil
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
6YHH
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BU of 6yhh by Molmil
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
4YYZ
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BU of 4yyz by Molmil
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
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
7ZCM
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BU of 7zcm by Molmil
Dark state structure of Sensory Rhodopsin II in complex with HtrII solved by room temperature serial synchrotron crystallography
Descriptor: RETINAL, Sensory rhodopsin II transducer, Sensory rhodopsin-2
Authors:Ortolani, G, Bosman, R, Ostojic, L.
Deposit date:2022-03-28
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Serial synchrotron crystallography structure of the Sensory rhodopsin II transducer complex
To be published
7Q7Q
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BU of 7q7q by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
7Q7P
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BU of 7q7p by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Baath, P, Banacore, A, Neutze, R.
Deposit date:2021-11-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
5JNQ
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BU of 5jnq by Molmil
MraY tunicamycin complex
Descriptor: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
Authors:Johansson, P.
Deposit date:2016-04-30
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
6ZID
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BU of 6zid by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) 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:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021

 

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