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6TBO
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BU of 6tbo by Molmil
3C-like protease from Southampton virus complexed with FMOPL000363a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
著者Guo, J, Cooper, J.B.
登録日2019-11-02
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5OLU
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BU of 5olu by Molmil
The crystal structure of a highly thermostable carboxyl esterase from Bacillus coagulans in complex with glycerol
分子名称: ACETATE ION, Alpha/beta hydrolase family protein, CHLORIDE ION, ...
著者Gourlay, L.J, Nakhnoukh, C, Bolognesi, M.
登録日2017-07-28
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A stereospecific carboxyl esterase from Bacillus coagulans hosting nonlipase activity within a lipase-like fold.
FEBS J., 285, 2018
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-12-05
公開日2020-06-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TBP
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BU of 6tbp by Molmil
3C-like protease from Southampton virus complexed with FMOPL000490a.
分子名称: DIMETHYL SULFOXIDE, Genome polyprotein, ~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide
著者Guo, J, Cooper, J.B.
登録日2019-11-03
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5OE0
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BU of 5oe0 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
登録日2017-07-07
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.0500083 Å)
主引用文献Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OE6
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Crystal structure of the N-terminal domain of PqsA in complex with 6-fluoroanthraniloyl-AMP (crystal form 1)
分子名称: 6-fluoroanthraniloyl-AMP, Anthranilate--CoA ligase, TRIETHYLENE GLYCOL
著者Witzgall, F, Ewert, W, Blankenfeldt, W.
登録日2017-07-07
公開日2017-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Chembiochem, 18, 2017
6TBY
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BU of 6tby by Molmil
Phycocyanobilin-adducted PAS-GAF bidomain of Sorghum bicolor phyB
分子名称: BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E.
登録日2019-11-04
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into photoactivation and signalling in plant phytochromes.
Nat.Plants, 6, 2020
5O1X
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BU of 5o1x by Molmil
Structure of Nrd1 RNA binding domain
分子名称: 1,2-ETHANEDIOL, Protein NRD1, THIOCYANATE ION
著者Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B.
登録日2017-05-19
公開日2017-08-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
5OF6
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BU of 5of6 by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 0.48MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-10
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5OFG
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BU of 5ofg by Molmil
Cu nitrite reductase serial data at varying temperatures RT 0.06MGy
分子名称: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
著者Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
登録日2017-07-11
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
5O39
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BU of 5o39 by Molmil
Human Brd2(BD2) mutant in complex with ME
分子名称: (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6TDF
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BU of 6tdf by Molmil
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3
分子名称: 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ...
著者Raimi, O.G, Stanley, M, Lockhart, D.
登録日2019-11-08
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
5O3F
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BU of 5o3f by Molmil
Human Brd2(BD2) mutant in complex with ET-Am1
分子名称: (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ...
著者Runcie, A.C, Chan, K.-H, Ciulli, A.
登録日2017-05-23
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition.
Chem Sci, 9, 2018
6TDP
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BU of 6tdp by Molmil
Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket.
分子名称: Beta-2-microglobulin, GLYCEROL, GLYCINE, ...
著者Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
登録日2019-11-10
公開日2020-03-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
6TDR
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BU of 6tdr by Molmil
Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
著者Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R.
登録日2019-11-10
公開日2020-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
5OHE
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BU of 5ohe by Molmil
Globin sensor domain of AfGcHK (FeIII form) in complex with cyanide
分子名称: CHLORIDE ION, CYANIDE ION, Globin-coupled histidine kinase, ...
著者Skalova, T, Kolenko, P, Dohnalek, J, Stranava, M, Martinkova, M.
登録日2017-07-16
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction.
J. Biol. Chem., 292, 2017
6TPI
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BU of 6tpi by Molmil
EnvC bound to the FtsX periplasmic domain
分子名称: Cell division protein FtsX, Murein hydrolase activator EnvC
著者Crow, A.
登録日2019-12-13
公開日2020-11-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Insights into bacterial cell division from a structure of EnvC bound to the FtsX periplasmic domain.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TPO
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BU of 6tpo by Molmil
Conformation of cd1 nitrite reductase NirS without bound heme d1
分子名称: (R,R)-2,3-BUTANEDIOL, HEME C, Nitrite reductase, ...
著者Kluenemann, T, Blankenfeldt, W.
登録日2019-12-13
公開日2020-11-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Structure of heme d 1 -free cd 1 nitrite reductase NirS.
Acta Crystallogr.,Sect.F, 76, 2020
5OJJ
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BU of 5ojj by Molmil
Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ...
著者Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H.
登録日2017-07-21
公開日2017-10-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
6TQQ
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BU of 6tqq by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
分子名称: 16L protein, Bcl-2-like protein 11, SODIUM ION
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2019-12-17
公開日2020-06-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.0017972 Å)
主引用文献Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
5OK7
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BU of 5ok7 by Molmil
Conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
分子名称: GLYCEROL, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase
著者Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
登録日2017-07-25
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
6THX
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BU of 6thx by Molmil
IRAK4 in complex with inhibitor
分子名称: 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Degorce, S.L.
登録日2019-11-21
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
6TIA
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IRAK4 IN COMPLEX WITH inhibitor
分子名称: 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4
著者Xue, Y, Aagaard, A, Degorce, S.L.
登録日2019-11-22
公開日2020-10-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
5OKS
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BU of 5oks by Molmil
Non-conservatively refined structure of Gan1D, a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-glucose
分子名称: 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, IMIDAZOLE, ...
著者Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
登録日2017-07-25
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
5O5F
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Crystal structure of the human BRPF1 bromodomain in complex with BZ038
分子名称: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018

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件を2024-11-06に公開中

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