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5LYK
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BU of 5lyk by Molmil
CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO CITRATE
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, CITRATE ANION
著者Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E.
登録日2016-09-28
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain.
ACS Chem. Biol., 12, 2017
5LLG
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BU of 5llg by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide
分子名称: 4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2016-07-27
公開日2017-08-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding.
PeerJ, 6, 2018
5LZR
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BU of 5lzr by Molmil
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase in complex with tungstate and magnesium
分子名称: K(+)-stimulated pyrophosphate-energized sodium pump, MAGNESIUM ION, TUNGSTATE(VI)ION
著者Wilkinson, C, Kellosalo, J, Kajander, T, Goldman, A.
登録日2016-10-01
公開日2016-12-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Membrane pyrophosphatases from Thermotoga maritima and Vigna radiata suggest a conserved coupling mechanism.
Nat Commun, 7, 2016
5LLX
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BU of 5llx by Molmil
Bacteriophytochrome activated diguanylyl cyclase from Idiomarina species A28L with GTP bound
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, CHLORIDE ION, Diguanylate cyclase (GGDEF) domain-containing protein, ...
著者Gourinchas, G, Winkler, A.
登録日2016-07-28
公開日2017-03-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Long-range allosteric signaling in red light-regulated diguanylyl cyclases.
Sci Adv, 3, 2017
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
分子名称: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dunstan, M.S, Gahloth, D.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
7A3K
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BU of 7a3k by Molmil
Crystal structure of DPP8 in complex with a b-lactam based inhibitor, A296.1
分子名称: 1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one, CHLORIDE ION, Dipeptidyl peptidase 8, ...
著者Ross, B.H, Huber, R.
登録日2020-08-18
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9
To Be Published
6ZUP
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BU of 6zup by Molmil
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-(-)-3-phenyllactic acid
分子名称: ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, Aminotransferase, MAGNESIUM ION, ...
著者Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G.
登録日2020-07-23
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
5LOL
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BU of 5lol by Molmil
Glutathione-bound Dehydroascorbate Reductase 2 of Arabidopsis thaliana
分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase DHAR2, ...
著者Young, D.R, Pallo, A, Bodra, N, Messens, J.
登録日2016-08-09
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Arabidopsis thaliana dehydroascorbate reductase 2: Conformational flexibility during catalysis.
Sci Rep, 7, 2017
6SJ3
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BU of 6sj3 by Molmil
Amidohydrolase, AHS with 3-HBA
分子名称: 1,2-ETHANEDIOL, 3-HYDROXYBENZOIC ACID, Amidohydrolase, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
6ZUR
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BU of 6zur by Molmil
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic acid
分子名称: (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, Aminotransferase, MAGNESIUM ION, ...
著者Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G.
登録日2020-07-23
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
6T1Q
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BU of 6t1q by Molmil
3C-like protease from Southampton norovirus.
分子名称: Genome polyprotein
著者Guo, J, Cooper, J.B.
登録日2019-10-05
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5LPF
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BU of 5lpf by Molmil
Kallikrein-related peptidase 10
分子名称: Kallikrein-10, SULFATE ION
著者Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H.
登録日2016-08-12
公開日2016-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
6ZOI
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BU of 6zoi by Molmil
A lid blocking mechanism of a cone snail toxin revealed at the atomic level
分子名称: Conknunitzin-C3 mutante
著者Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I.
登録日2020-07-07
公開日2021-07-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A lid blocking mechanism of a cone snail toxin revealed at the atomic level
To Be Published
6ZVG
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BU of 6zvg by Molmil
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-indole-3-lactic acid
分子名称: 3-(INDOL-3-YL) LACTATE, Aminotransferase, MAGNESIUM ION, ...
著者Rum, J, Rutkiewicz, M, Pruska, A, Bujacz, A, Pietrzyk-Brzezinska, A.J, Bujacz, G.
登録日2020-07-24
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials (Basel), 14, 2021
6T0Y
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BU of 6t0y by Molmil
Crystal structure of YlmD from Geobacillus stearothermophilus
分子名称: Polyphenol oxidase, ZINC ION
著者Reikine, S, Modis, Y.
登録日2019-10-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献FAMIN Is a Multifunctional Purine Enzyme Enabling the Purine Nucleotide Cycle.
Cell, 180, 2020
5LTM
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BU of 5ltm by Molmil
Crystal structure of phenylalanine ammonia-lyase from Anabaena variabilis (Y78F-C503S-C565S) bound to cinnamate
分子名称: HYDROCINNAMIC ACID, phenylalanine ammonia lyase
著者Dunstan, M.S, Leys, D.
登録日2016-09-07
公開日2017-09-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.413 Å)
主引用文献Zymophore identification enables the discovery of novel phenylalanine ammonia lyase enzymes.
Sci Rep, 7, 2017
6ZWK
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BU of 6zwk by Molmil
Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody)
分子名称: CHLORIDE ION, Histone H2AX, SODIUM ION, ...
著者McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A.
登録日2020-07-28
公開日2021-07-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021
6SLK
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BU of 6slk by Molmil
Diaminobutyrate acetyltransferase EctA from Paenibacillus lautus
分子名称: L-2,4-diaminobutyric acid acetyltransferase, SODIUM ION, SULFATE ION
著者Richter, A.A, Kobus, S, Czech, L, Hoeppner, A, Bremer, E, Smits, S.H.J.
登録日2019-08-20
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The architecture of the diaminobutyrate acetyltransferase active site provides mechanistic insight into the biosynthesis of the chemical chaperone ectoine.
J.Biol.Chem., 295, 2020
6ZRG
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BU of 6zrg by Molmil
Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem
分子名称: (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6ZRJ
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BU of 6zrj by Molmil
Crystal structure of class D Beta-lactamase OXA-48 in complex with ertapenem
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6T21
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BU of 6t21 by Molmil
N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5mCGA target sequence
分子名称: 5-methylcytosine-specific restriction enzyme A, DNA (5'-D(*GP*AP*AP*TP*(5CM)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5CM)P*GP*AP*TP*TP*C)-3')
著者Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M.
登録日2019-10-07
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
5LUG
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BU of 5lug by Molmil
Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
分子名称: 1,2-ETHANEDIOL, ALA-ARG-THR-M3L-GLN-THR-ALA-2MR-LYS-SER, N3, ...
著者Srikannathasan, V, Gileadi, C, Talon, R, Shrestha, L, Kopec, J, Szykowska, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Oppermann, U, Huber, K.
登録日2016-09-08
公開日2017-09-20
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human Spindlin-2B protein in complex with ART(M3L)QTA(2MR)KS peptide
To be published
6ZRI
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BU of 6zri by Molmil
Crystal structure of OXA-10loop24 in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D.
登録日2020-07-13
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6SHH
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BU of 6shh by Molmil
Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57
分子名称: (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Kallikrein-7, ...
著者Hanke, S, Straeter, N.
登録日2019-08-06
公開日2020-05-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
J.Med.Chem., 63, 2020
6SMP
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AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide
分子名称: (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ...
著者Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M.
登録日2019-08-22
公開日2020-05-27
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis.
Nat.Chem., 12, 2020

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