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7YHC
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BU of 7yhc by Molmil
Crystal structure of VIM-2 MBL in complex with 3-(4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl)phthalic acid
分子名称: 3-[4-(3-aminophenyl)-1,2,3-triazol-1-yl]phthalic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Li, G.-B, Yan, Y.-H.
登録日2022-07-13
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Metal binding pharmacophore click-derived discovery of new broad-spectrum metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 257, 2023
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
分子名称: ARSENIC, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
登録日2021-08-24
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
7NEK
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BU of 7nek by Molmil
SusD protein from human gut uncultured Bacteroides
分子名称: GLYCEROL, RagB SusD domain containing protein
著者Cioci, C, Tauzin, A, Wang, Z, Machado, B, Lippens, G, Potocki-Veronese, G.
登録日2021-02-04
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献SusD protein from human gut uncultured Bacteroides
To Be Published
6IET
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BU of 6iet by Molmil
The crystal structure of TRIM66 PHD-Bromo domain
分子名称: Tripartite motif-containing protein 66, ZINC ION
著者Chen, J.
登録日2018-09-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
6IEU
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BU of 6ieu by Molmil
The structure of TRIM66 PHD-Bromo domain with unmodified H3 N terminal peptide
分子名称: ALA-ARG-THR-LYS-GLN-THR-ALA-ARG-LYS-SER-THR-GLY, GLYCEROL, Tripartite motif-containing protein 66, ...
著者Chen, J.
登録日2018-09-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献TRIM66 reads unmodified H3R2K4 and H3K56ac to respond to DNA damage in embryonic stem cells.
Nat Commun, 10, 2019
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者Cui, W, Cui, S.S.
登録日2019-02-21
公開日2019-04-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
7BZ7
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BU of 7bz7 by Molmil
Template lasso peptide C24 mutant F15Y
分子名称: lasso peptide
著者Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
登録日2020-04-27
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7F2E
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BU of 7f2e by Molmil
SARS-CoV-2 nucleocapsid protein C-terminal domain (dodecamer)
分子名称: Nucleoprotein, PHOSPHATE ION
著者Liu, C, Jiang, H.
登録日2021-06-10
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies.
Febs J., 289, 2022
7ETK
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BU of 7etk by Molmil
The complex structure of FtmOx1 bond with fumitremorgen B at 1.22 angstrom
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (II) ION, ...
著者Zhou, J.H, Wu, L.
登録日2021-05-13
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.22027433 Å)
主引用文献Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7ETL
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BU of 7etl by Molmil
The crystal structure of FtmOx1-Y68F
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CHLORIDE ION, ...
著者Zhou, J.H, Wu, L.
登録日2021-05-13
公開日2021-12-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.992128 Å)
主引用文献Structural Insight into the Catalytic Mechanism of the Endoperoxide Synthase FtmOx1.
Angew.Chem.Int.Ed.Engl., 61, 2022
7ESD
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BU of 7esd by Molmil
Mature Donggang virus
分子名称: Genome polyprotein
著者Zhang, Y, Liang, D.
登録日2021-05-10
公開日2022-05-18
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Replication is the key barrier during the dual-host adaptation of mosquito-borne flaviviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CU6
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BU of 7cu6 by Molmil
lasso peptide C24 mutant - A11V2C
分子名称: lasso peptide C24_A11V2C
著者Ma, M, Liu, X.H.
登録日2020-08-21
公開日2021-08-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
7F2B
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BU of 7f2b by Molmil
Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal RNA binding domain at 2.0A resolution
分子名称: CHLORIDE ION, Nucleoprotein, PHOSPHATE ION
著者Liu, C, Chen, Y.W.
登録日2021-06-10
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of the SARS-CoV-2 nucleocapsid protein C-terminal domain and development of nucleocapsid-targeting nanobodies.
Febs J., 289, 2022
7F26
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BU of 7f26 by Molmil
Crystal structure of lysozyme
分子名称: Lysozyme C
著者Liang, M.
登録日2021-06-10
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel combined crystallization plate for high-throughput crystal screening and in situ data collection at a crystallography beamline.
Acta Crystallogr.,Sect.F, 77, 2021
7EQ2
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BU of 7eq2 by Molmil
Crystal structure of GDP-bound Rab1a-T75D
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ...
著者Cao, Y.L, Gu, D.D, Gao, S.
登録日2021-04-28
公開日2022-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55090284 Å)
主引用文献Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis
Nat.Struct.Mol.Biol., 2024
6UVQ
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BU of 6uvq by Molmil
Crystal structure of Apo AtmM
分子名称: ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION
著者Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N.
登録日2019-11-04
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of Apo AtmM
To Be Published
4E4K
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BU of 4e4k by Molmil
Crystal Structure of PPARgamma with the ligand JO21
分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
7DRT
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BU of 7drt by Molmil
Human Wntless in complex with Wnt3a
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D.
登録日2020-12-29
公開日2021-07-14
最終更新日2021-09-08
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Cryo-EM structure of human Wntless in complex with Wnt3a.
Nat Commun, 12, 2021
8WD5
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BU of 8wd5 by Molmil
Crystal structure of farnesyl diphosphate synthase FPPS1 from silkworm, Bombyx mori
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL
著者Guo, P.C, Fang, H.
登録日2023-09-14
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Substrate Binding of Farnesyl Diphosphate Synthase FPPS1 from Silkworm, Bombyx mori.
J.Agric.Food Chem., 72, 2024
8VTB
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BU of 8vtb by Molmil
SthK R120A R124A in the presence of PIP2 and cAMP
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Transcriptional regulator, ...
著者Schmidpeter, P.A.M, Thon, O, Nimigean, C.M.
登録日2024-01-26
公開日2024-09-25
最終更新日2024-10-02
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献PIP2 inhibits pore opening of the cyclic nucleotide-gated channel SthK.
Nat Commun, 15, 2024
8VTA
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BU of 8vta by Molmil
SthK R120A in the presence of PIP2 and cAMP
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Transcriptional regulator, ...
著者Schmidpeter, P.A.M, Thon, O, Nimigean, C.M.
登録日2024-01-26
公開日2024-09-25
最終更新日2024-10-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献PIP2 inhibits pore opening of the cyclic nucleotide-gated channel SthK.
Nat Commun, 15, 2024
8VT9
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BU of 8vt9 by Molmil
WT SthK in the presence of PIP2 and cAMP
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Transcriptional regulator, ...
著者Schmidpeter, P.A.M, Thon, O, Nimigean, C.M.
登録日2024-01-26
公開日2024-09-25
最終更新日2024-10-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献PIP2 inhibits pore opening of the cyclic nucleotide-gated channel SthK.
Nat Commun, 15, 2024
8XN7
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BU of 8xn7 by Molmil
Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f
分子名称: 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1
著者Huang, W.X, Liu, R, Ding, K.
登録日2023-12-29
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024

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