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6O4K
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BU of 6o4k by Molmil
Structure of ALDH7A1 mutant E399Q complexed with NAD
分子名称: 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ...
著者Tanner, J.J, Korasick, D.A, Laciak, A.R.
登録日2019-02-28
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
6O5K
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BU of 6o5k by Molmil
Murine TRIM28 Bbox1 domain
分子名称: Transcription intermediary factor 1-beta, ZINC ION
著者Sun, Y, Keown, J.R, Goldstone, D.C.
登録日2019-03-03
公開日2019-06-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family.
J.Mol.Biol., 431, 2019
6WPY
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BU of 6wpy by Molmil
Crystal structure of Bacillus licheniformis lipase BlEst2 in mature form
分子名称: BlEst2
著者Nakamura, A.M, Godoy, A.S, Kadowaki, M.A.S, Polikarpov, I.
登録日2020-04-28
公開日2021-06-09
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structures of BlEst2 from Bacillus licheniformis in its propeptide and mature forms reveal autoinhibitory effects of the C-terminal domain
Febs J., n/a, 2024
5J3Z
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BU of 5j3z by Molmil
Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor
分子名称: 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ...
著者Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
6O5Z
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BU of 6o5z by Molmil
Crystal Structure of the human MLKL pseudokinase domain bound to compound 2
分子名称: 1,2-ETHANEDIOL, 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea, Mixed lineage kinase domain-like protein
著者Cowan, A.D, Murphy, J.M, Pierotti, C.L, Lessene, G.L, Czabotar, P.E.
登録日2019-03-04
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献Potent Inhibition of Necroptosis by Simultaneously Targeting Multiple Effectors of the Pathway.
Acs Chem.Biol., 15, 2020
7UXN
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BU of 7uxn by Molmil
Structure of PPIA in complex with FP29103, a Helicon Polypeptide
分子名称: FP29103, N,N'-(1,4-phenylene)diacetamide, Peptidyl-prolyl cis-trans isomerase A
著者Li, K, Agarwal, S, Tokareva, O, Thomson, T, Tattersfield, H, Wahl, S, Verdine, G, McGee, J.
登録日2022-05-05
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献De novo mapping of alpha-helix recognition sites on protein surfaces using unbiased libraries.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WU7
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BU of 6wu7 by Molmil
Human Calcium and Integrin Binding Protein 3 E150Q K151H
分子名称: ACETATE ION, CALCIUM ION, Calcium and integrin-binding family member 3
著者Shapiro, L, Dionne, G.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6WU5
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BU of 6wu5 by Molmil
Human Calcium and Integrin Binding Protein 3
分子名称: CALCIUM ION, CHLORIDE ION, Calcium and integrin-binding family member 3, ...
著者Dionne, G, Shapiro, L.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
7UDF
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BU of 7udf by Molmil
The crystal structure of F298V CYP199A4 bound to 4-n-propylbenzoic acid
分子名称: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-03-18
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
6WUD
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BU of 6wud by Molmil
Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347
分子名称: Calcium and integrin-binding family member 3, MAGNESIUM ION, Transmembrane channel-like protein 1
著者Shapiro, L, Dionne, G.
登録日2020-05-04
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
8EVZ
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BU of 8evz by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase B, MAGNESIUM ION, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
5JLC
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BU of 5jlc by Molmil
Structure of CYP51 from the pathogen Candida glabrata
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ...
著者Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C.
登録日2016-04-26
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
8EVW
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BU of 8evw by Molmil
DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase A, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
8OU1
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BU of 8ou1 by Molmil
Crystal structure of the SPOC domain of mouse SPOCD1
分子名称: CITRATE ANION, SPOC domain-containing protein 1
著者Heep, M, Cook, A.G, O'Carroll, D.
登録日2023-04-21
公開日2024-02-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献C19ORF84 connects piRNA and DNA methylation machineries to defend the mammalian germ line.
Mol.Cell, 84, 2024
7UZC
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BU of 7uzc by Molmil
Structure of the SARS-CoV-2 RBD in complex with the mouse antibody Fab fragment, M8a-34
分子名称: M8a-34 Fab heavy chain, M8a-34 Fab light chain, Spike protein S1, ...
著者Fan, C, Bjorkman, P.J.
登録日2022-05-08
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Neutralizing monoclonal antibodies elicited by mosaic RBD nanoparticles bind conserved sarbecovirus epitopes.
Immunity, 55, 2022
6O8A
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BU of 6o8a by Molmil
Thaumatin native-SAD structure determined at 5 keV from microcrystals
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q.
登録日2019-03-09
公開日2019-05-08
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synchrotron microcrystal native-SAD phasing at a low energy.
Iucrj, 6, 2019
7UDA
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BU of 7uda by Molmil
Structure of the EstG
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION
著者Chen, Z, Gabelli, S.B.
登録日2022-03-18
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-CD28xCD3 CODV Fab Heavy chain, ...
著者Lord, D.M, Wei, R.R.
登録日2019-03-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.547 Å)
主引用文献Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
7UZD
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BU of 7uzd by Molmil
Structure of the SARS-CoV-2 RBD in complex with the mouse antibody Fab fragment, HSW-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HSW-2 Fab heavy chain, HSW-2 Fab light chain, ...
著者Fan, C, Bjorkman, P.J.
登録日2022-05-08
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Neutralizing monoclonal antibodies elicited by mosaic RBD nanoparticles bind conserved sarbecovirus epitopes.
Immunity, 55, 2022
8OT8
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BU of 8ot8 by Molmil
Alditol oxidase from Actinomycetota bacterium in complex with D-xylulose
分子名称: D-XYLULOSE, FAD-binding protein, FLAVIN-ADENINE DINUCLEOTIDE
著者Rotilio, L, Mattevi, A.
登録日2023-04-20
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and biochemical characterization of thermostable glycerol oxidases.
Appl.Microbiol.Biotechnol., 108, 2024
8EVY
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BU of 8evy by Molmil
DdlB from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ALANINE, D-alanine--D-alanine ligase B, ...
著者Pederick, J.L, Woolman, J.C, Bruning, J.B.
登録日2022-10-21
公開日2023-08-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets.
Febs J., 290, 2023
7UVN
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BU of 7uvn by Molmil
Crystal structure of human ClpP protease in complex with TR-57
分子名称: 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile, ATP-dependent Clp protease proteolytic subunit, mitochondrial
著者Mabanglo, M.F, Houry, W.A.
登録日2022-05-02
公開日2023-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Potent ClpP agonists with anticancer properties bind with improved structural complementarity and alter the mitochondrial N-terminome.
Structure, 31, 2023
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
分子名称: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
著者Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
登録日2019-03-11
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
7UDQ
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BU of 7udq by Molmil
Crystal structure of COQ8A-CA157 inhibitor complex in space group P1
分子名称: 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ...
著者Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J.
登録日2022-03-20
公開日2023-01-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
8EJ0
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BU of 8ej0 by Molmil
Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg
分子名称: BICARBONATE ION, CARBON DIOXIDE, Dihydroxyacid dehydratase, ...
著者Bayaraa, T, Lonhienne, T, Guddat, L.W.
登録日2022-09-16
公開日2023-08-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg
To Be Published

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件を2024-08-28に公開中

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