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PDB: 385 件

3HXB
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Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 6)
分子名称: Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, N-[(benzyloxy)carbonyl]-D-tyrosyl-L-phenylalanyl-L-tyrosine, ...
著者Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W.
登録日2009-06-20
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
5O15
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Crystal structure of bifunctional dehydratase-cyclase domain in ambruticin biosynthesis
分子名称: AmbC, GLYCEROL
著者Sung, K.H, Berkhan, G, Hollmann, T, Wagner, L, Hahn, F, Blankenfeldt, W.
登録日2017-05-18
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.174 Å)
主引用文献Insights into the Dual Activity of a Bifunctional Dehydratase-Cyclase Domain.
Angew. Chem. Int. Ed. Engl., 57, 2018
3JVL
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Crystal structure of bromodomain 2 of mouse Brd4
分子名称: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Bromodomain-containing protein 4
著者Vollmuth, F, Blankenfeldt, W, Geyer, M.
登録日2009-09-17
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution
J.Biol.Chem., 284, 2009
5O30
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Crystal structure of the novel halohydrin dehalogenase HheG
分子名称: ACETATE ION, GLYCEROL, Putative oxidoreductase
著者Diederich, C, Schallmey, A, Blankenfeldt, W.
登録日2017-05-23
公開日2017-09-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HheG, a Halohydrin Dehalogenase with Activity on Cyclic Epoxides
Acs Catalysis, 2017
8VQX
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BU of 8vqx by Molmil
Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
著者Dougan, D.R, Lane, W.
登録日2024-01-19
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
3JZ9
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Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila
分子名称: Uncharacterized protein DrrA
著者Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
登録日2009-09-23
公開日2010-01-19
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
3JVK
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Crystal structure of bromodomain 1 of mouse Brd4 in complex with histone H3-K(ac)14
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, histone H3.3 peptide
著者Vollmuth, F, Blankenfeldt, W, Geyer, M.
登録日2009-09-17
公開日2009-10-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the Dual Bromodomains of the P-TEFb-activating Protein Brd4 at Atomic Resolution
J.Biol.Chem., 284, 2009
8BCJ
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BU of 8bcj by Molmil
Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1 in complex with NADP+
分子名称: IMIDAZOLE, L(+)-TARTARIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Popp, M.A, Vit, A, Blankenfeldt, W.
登録日2022-10-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
8BCI
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Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Probable short-chain dehydrogenase
著者Popp, M.A, Vit, A, Blankenfeldt, W.
登録日2022-10-16
公開日2022-11-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
To Be Published
8B4A
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Nativ complex of PqsE and RhlR with autoinducer C4-HSL
分子名称: 2-aminobenzoylacetyl-CoA thioesterase, FE (III) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
著者Borgert, S.R, Blankenfeldt, W.
登録日2022-09-20
公開日2022-12-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Nat Commun, 13, 2022
3KH3
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Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P212121 crystal form containing 12 chains in the asymmetric unit
分子名称: COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Gazdag, E.M, Blankenfeldt, W.
登録日2009-10-30
公開日2010-08-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Purification and crystallization of human Cu/Zn superoxide dismutase recombinantly produced in the protozoan Leishmania tarentolae.
Acta Crystallogr.,Sect.F, 66, 2010
5X9O
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BU of 5x9o by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1a
分子名称: 1,2-ETHANEDIOL, 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one, B-cell lymphoma 6 protein, ...
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-03-08
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
3KH4
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BU of 3kh4 by Molmil
Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P6522 crystal form containing 6 chains in the asymmetric unit
分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
著者Gazdag, E.M, Blankenfeldt, W.
登録日2009-10-30
公開日2010-08-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Purification and crystallization of human Cu/Zn superoxide dismutase recombinantly produced in the protozoan Leishmania tarentolae.
Acta Crystallogr.,Sect.F, 66, 2010
5X4M
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BU of 5x4m by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 1
分子名称: B-cell lymphoma 6 protein, N-phenyl-1,3,5-triazine-2,4-diamine
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-02-13
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X4Q
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BU of 5x4q by Molmil
Crystal structure of the BCL6 BTB domain in complex with Compound 7
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein, ...
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-02-13
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach
J. Med. Chem., 60, 2017
5X9P
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Crystal structure of the BCL6 BTB domain in complex with Compound 5
分子名称: 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid, B-cell lymphoma 6 protein
著者Sogabe, S, Ida, K, Lane, W, Snell, G.
登録日2017-03-08
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design
Bioorg. Med. Chem., 25, 2017
6I9U
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BU of 6i9u by Molmil
Crystal structure of the halohydrin dehalogenase HheG T123W mutant
分子名称: Putative oxidoreductase
著者Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2018-11-26
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.
Sci Rep, 9, 2019
6I9W
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Crystal structure of the halohydrin dehalogenase HheG T123G mutant
分子名称: (R,R)-2,3-BUTANEDIOL, CHLORIDE ION, Putative oxidoreductase
著者Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2018-11-26
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.
Sci Rep, 9, 2019
3EUV
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Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10, W102T, Y154T) in complex with BiotinGPP
分子名称: (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
著者Guo, Z, Nguyen, U.T.T, Delon, C, Bon, R.S, Blankenfeldt, W, Goody, R.S, Waldmann, H, Wolters, D, Alexandrov, K.
登録日2008-10-11
公開日2009-07-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Analysis of the eukaryotic prenylome by isoprenoid affinity tagging
Nat.Chem.Biol., 5, 2009
5MBR
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Quadruplex with flipped tetrad formed by a human telomeric sequence
分子名称: G-quadruplex formed by a human telomeric sequence modified with 2'-fluoro-2'-deoxyriboguanosine
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-08
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
5MCR
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Quadruplex with flipped tetrad formed by an artificial sequence
分子名称: Artificial quadruplex with propeller, diagonal and lateral loop
著者Dickerhoff, J, Haase, L, Langel, W, Weisz, K.
登録日2016-11-10
公開日2017-04-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes.
ACS Chem. Biol., 12, 2017
3DST
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BU of 3dst by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with geranylgeranyl pyrophosphate
分子名称: CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
5MZW
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Crystal structure of the decarboxylase AibA/AibB
分子名称: GLYCEROL, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MZY
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Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
分子名称: (1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid, ACETATE ION, GLYCEROL, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017
5N00
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BU of 5n00 by Molmil
Crystal structure of the decarboxylase AibA/AibB C56A variant
分子名称: ACETATE ION, Glutaconate CoA-transferase family, subunit A, ...
著者Bock, T, Luxenburger, E, Hoffmann, J, Schuetza, V, Feiler, C, Mueller, R, Blankenfeldt, W.
登録日2017-02-02
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus.
Angew. Chem. Int. Ed. Engl., 56, 2017

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件を2024-09-04に公開中

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