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4NZ2
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BU of 4nz2 by Molmil
Crystal structure of CYP2C9 in complex with an inhibitor
分子名称: (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ...
著者Branden, G, Sjogren, T, Xue, Y.
登録日2013-12-11
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
分子名称: (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
著者Branden, G, Sjogren, T, Xue, Y.
登録日2013-12-10
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based ligand design to overcome CYP inhibition in drug discovery projects.
Drug Discov Today, 19, 2014
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
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
著者Ghosh, S, Zoric, D, Bjelcic, M, Johannesson, J, Sandelin, E, Branden, G, Neutze, R.
登録日2022-12-22
公開日2023-03-01
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A simple goniometer-compatible flow cell for serial synchrotron X-ray crystallography.
J.Appl.Crystallogr., 56, 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
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者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.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: CITRIC ACID, COPPER (II) ION, LPMO9F
著者Mazurkewich, S, Seveso, A, Huttner, S, Branden, G, Larsbrink, L.
登録日2021-03-10
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Structure of a C1/C4-oxidizing AA9 lytic polysaccharide monooxygenase from the thermophilic fungus Malbranchea cinnamomea.
Acta Crystallogr D Struct Biol, 77, 2021
5NJ4
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BU of 5nj4 by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Dods, R, Baath, P, Branden, G, Neutze, R.
登録日2017-03-28
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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.
分子名称: Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER
著者Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G.
登録日2023-10-18
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Exploring serial crystallography for drug discovery
To Be Published
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
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Carbohydrate Esterase family 1 protein with an N-terminal carbohydrate binding module family 48, ...
著者Mazurkewich, S, Kmezik, C, Branden, G, Larsbrink, J.
登録日2020-12-07
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Carbohydrate Esterase family 1 protein with an N-terminal carbohydrate binding module family 48, ...
著者Mazurkewich, S, Kmezik, C, Branden, G, Larsbrink, J.
登録日2020-12-07
公開日2021-03-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A polysaccharide utilization locus from the gut bacterium Dysgonomonas mossii encodes functionally distinct carbohydrate esterases.
J.Biol.Chem., 296, 2021
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
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者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.
登録日2022-07-29
公開日2023-08-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
7PNC
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BU of 7pnc by Molmil
Dark state structure of Sensory Rhodopsin II solved by serial millisecond crystallography
分子名称: CHLORIDE ION, RETINAL, Sensory rhodopsin-2, ...
著者Bosman, R, Ortolani, G, Branden, G, Neutze, R.
登録日2021-09-06
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: RETINAL, Sensory rhodopsin-2
著者Bosman, R, Ortolani, G, Branden, G, Neutze, R.
登録日2023-10-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Structural basis of the prolonged photocycle of Sensory Rhodopsin II revealed by serial millisecond crystallography
To Be Published
5NDC
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BU of 5ndc by Molmil
Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide IIA, ...
著者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.
登録日2017-03-08
公開日2017-08-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Serial femtosecond crystallography structure of cytochrome c oxidase at room temperature.
Sci Rep, 7, 2017
5O4C
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BU of 5o4c by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Dods, R, Baath, P, Branden, G, Neutze, R.
登録日2017-05-28
公開日2017-08-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Dods, R, Baath, P, Branden, G, Neutze, R.
登録日2017-06-05
公開日2017-08-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
6ZHW
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BU of 6zhw by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 1 ps structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Branden, G, Neutze, R.
登録日2020-06-23
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 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
分子名称: 1,2-ETHANEDIOL, Candidate chitinase Glycoside hydrolase family 18, FORMIC ACID
著者Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V, Pope, P, Branden, G, Larsbrink, J.
登録日2020-01-31
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL
著者Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J.
登録日2020-03-30
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 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
著者Branden, G, Boden, C, Ogg, D.
登録日2015-03-24
公開日2016-02-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.
Medchemcomm, 6, 2016
7Q7Q
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BU of 7q7q by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
著者Baath, P, Banacore, A, Neutze, R.
登録日2021-11-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
著者Baath, P, Banacore, A, Neutze, R.
登録日2021-11-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: PALMITIC ACID, Phospho-N-acetylmuramoyl-pentapeptide-transferase, Tunicamycin, ...
著者Johansson, P.
登録日2016-04-30
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MraY-antibiotic complex reveals details of tunicamycin mode of action.
Nat. Chem. Biol., 13, 2017
6ZI6
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BU of 6zi6 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 20 ps structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Braenden, G, Neutze, R.
登録日2020-06-24
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI9
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BU of 6zi9 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Baath, P, Dods, R, Braenden, G, Neutze, R.
登録日2020-06-25
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021

 

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