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8FN5
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Structure of the truncated catalytic domain of Streptococcus mutans GtfD
分子名称: Glucosyltransferase-S
著者Schormann, N, Deivanayagam, C.
登録日2022-12-27
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
5LBO
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Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-001
分子名称: (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Singh, A.K, Brown, D.G.
登録日2016-06-16
公開日2018-03-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
6W5L
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BU of 6w5l by Molmil
2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g
分子名称: (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 3C-LIKE PROTEASE
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C.
登録日2020-03-13
公開日2020-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
6W66
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The structure of the F64A, S172A mutant Keap1-BTB domain in complex with SKP1-FBXL17
分子名称: F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, S-phase kinase-associated protein 1
著者Mena, E.L, Gee, C.L, Kuriyan, J, Rape, M.
登録日2020-03-16
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Structural basis for dimerization quality control.
Nature, 586, 2020
4YR1
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BU of 4yr1 by Molmil
Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate
分子名称: Alkaline phosphatase, GLYCEROL, PHOSPHATE ION, ...
著者Peck, A, Herschlag, D.
登録日2015-03-13
公開日2015-04-29
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Extensive site-directed mutagenesis reveals interconnected functional units in the Alkaline Phosphatase active site.
Elife, 4, 2015
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
分子名称: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRR
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Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
著者Koh, C.-Y, Hol, W.G.J.
登録日2015-03-15
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8FN3
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BU of 8fn3 by Molmil
Crystal structure of human DNA polymerase eta incorporating dITP across dC
分子名称: 2'-deoxyinosine 5'-triphosphate, CALCIUM ION, DNA polymerase eta, ...
著者Jung, H.
登録日2022-12-26
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structure of human DNA polymerase eta incorporating dITP across dC
To Be Published
6W83
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K2P2.1 (TREK-1), 100 mM K+
分子名称: CADMIUM ION, DECANE, DODECANE, ...
著者Lolicato, M, Minor, D.L.
登録日2020-03-20
公開日2021-01-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.901 Å)
主引用文献K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
8FI8
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BU of 8fi8 by Molmil
Structure of Lettuce C20T bound to DFAME
分子名称: Lettuce DNA aptamer, MAGNESIUM ION, POTASSIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
6W87
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K2P2.1 (TREK-1):ML335 complex, 50 mM K+
分子名称: CADMIUM ION, DECANE, DODECANE, ...
著者Lolicato, M, Minor, D.L.
登録日2020-03-20
公開日2021-01-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
5KKK
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BU of 5kkk by Molmil
1.7-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb-CO) at 100 K
分子名称: CARBON MONOXIDE, CHLORIDE ION, Myoglobin, ...
著者Broecker, J, Ernst, O.P.
登録日2016-06-21
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
6W8R
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BU of 6w8r by Molmil
Crystal structure of metacaspase 4 C139A from Arabidopsis
分子名称: Metacaspase-4, SULFATE ION
著者Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q.
登録日2020-03-21
公開日2020-05-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
8HT0
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BU of 8ht0 by Molmil
Improved thermostability of a glucose-tolerant glycosidase based on its X-ray crystal structure
分子名称: Beta-glucosidase
著者Dong, P.P, Wu, Y.K.
登録日2022-12-20
公開日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improved thermostability of a glucose-tolerant glycosidase based on its X-ray crystal structure
To Be Published
6W9I
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BU of 6w9i by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene, Nuclear receptor ROR-gamma, Steroid receptor coactivator 1 fusion
著者Sack, J.S.
登録日2020-03-23
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.608 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
5KM6
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BU of 5km6 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex
分子名称: Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM2
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Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) CMP catalytic product complex
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
4YWF
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BU of 4ywf by Molmil
AbyA5
分子名称: AbyA5
著者Byrne, M.J, Race, P.R.
登録日2015-03-20
公開日2016-06-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis.
Angew.Chem.Int.Ed.Engl., 58, 2019
8FO6
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BU of 8fo6 by Molmil
Nucleotide-free structure of a functional construct of eukaryotic elongation factor 2 kinase.
分子名称: CALCIUM ION, Calmodulin-1, Eukaryotic elongation factor 2 kinase, ...
著者Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R.
登録日2022-12-29
公開日2023-05-03
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献ADP enhances the allosteric activation of eukaryotic elongation factor 2 kinase by calmodulin.
Proc.Natl.Acad.Sci.USA, 120, 2023
5KMR
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BU of 5kmr by Molmil
The structure of type II NADH dehydrogenase from Caldalkalibacillus thermarum complexed with NAD+ at 3.0 angstrom resolution.
分子名称: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2016-06-27
公開日2017-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
5KNJ
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BU of 5knj by Molmil
Pseudokinase Domain of MLKL bound to Compound 1.
分子名称: 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein
著者Marcotte, D.J.
登録日2016-06-28
公開日2016-11-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis.
Plos One, 11, 2016
8HUH
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BU of 8huh by Molmil
Crystal structure of T2R-TTL-3a complex
分子名称: 2-(1-methylindol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1~{H}-imidazo[4,5-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Wang, Y.X, Chen, J.J.
登録日2022-12-23
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of T2R-TTL-3a complex
To Be Published
8FHZ
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Structure of Lettuce aptamer bound to DFHO
分子名称: (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Lettuce DNA aptamer, MAGNESIUM ION, ...
著者Passalacqua, L.F.M, Ferre-D'Amare, A.R.
登録日2022-12-15
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Intricate 3D architecture of a DNA mimic of GFP.
Nature, 618, 2023
8HVB
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Crystal structure of lacto-N-biosidase StrLNBase from Streptomyces sp. strain 142, lacto-N-biose complex
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, Lacto-N-biosidase, beta-D-galactopyranose
著者Fushinobu, S, Yamada, C, Fujio, N.
登録日2022-12-26
公開日2023-12-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of glycoside hydrolase family 20 lacto-N-biosidase from soil bacterium Streptomyces sp. strain 142
to be published
5KOP
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Arabidopsis thaliana fucosyltransferase 1 (FUT1) in its apo-form
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Galactoside 2-alpha-L-fucosyltransferase
著者Rocha, J, de Sanctis, D, Breton, C.
登録日2016-07-01
公開日2016-10-12
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Arabidopsis thaliana FUT1 Reveals a Variant of the GT-B Class Fold and Provides Insight into Xyloglucan Fucosylation.
Plant Cell, 28, 2016

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