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9BRX
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SARS-CoV-2 Papain-like Protease (PLpro) with Fragment 10
分子名称: (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Papain-like protease nsp3, SULFATE ION, ...
著者Amporndanai, K, Zhao, B, Fesik, S.W.
登録日2024-05-11
公開日2024-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Screen of SARS-CoV-2 Papain-like Protease (PLpro)
Acs Med.Chem.Lett., 2024
8YVW
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BU of 8yvw by Molmil
Crystal structure of D12N mutant of L-azetidine-2-carboxylate hydrolase
分子名称: (S)-2-haloacid dehalogenase, FORMIC ACID, IMIDAZOLE, ...
著者Toyoda, M, Mizutani, K, Mikami, B, Wackett, L.P, Esaki, N, Kurihara, T.
登録日2024-03-29
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Research for the crystal structure of L-azetidine-2-carboxylate hydrolase
To Be Published
9BKF
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BU of 9bkf by Molmil
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
分子名称: Serine protease 1
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-27
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1A wavelength
To Be Published
8W04
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BU of 8w04 by Molmil
Crystal structure of DUF1735-domain containing protein (GH18-like) from Bacteroides faecium at 2.9 A resolution (Space group P21)
分子名称: DUF1735 domain-containing protein
著者Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J.
登録日2024-02-13
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8WQO
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BU of 8wqo by Molmil
Crystal structure of BRD4-BD1 bound with DI106
分子名称: (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4
著者Cao, D, Xiong, B.
登録日2023-10-12
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Rational design and evaluation of BET-Aurora A dual-inhibitors for treatment of cancers
To Be Published
9BKL
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BU of 9bkl by Molmil
Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
分子名称: COBALT (II) ION, Rubredoxin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cobalt substituted rubredoxin from Pyrococcus furiosus solved by Co/S-SAD
To Be Published
8QRD
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BU of 8qrd by Molmil
OleP in complex with testosterone in high salt crystallization conditions
分子名称: Cytochrome P-450, FORMIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with testosterone in high salt crystallization conditions
To Be Published
8WYP
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BU of 8wyp by Molmil
High Resolution Crystal Structure of Brd4 BD-1 in Complex with a Novel Inhibitor Precursor
分子名称: 3-bromanylimidazo[1,2-a]pyridin-6-amine, Bromodomain-containing protein 4
著者Liu, B, Ma, X.
登録日2023-10-31
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献High resolution crystal structure of BRD4-BD1 in complex with a novel inhibitor precursor.
Biochem.Biophys.Res.Commun., 690, 2024
8XEY
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BU of 8xey by Molmil
The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ribosomal protein S6 kinase alpha-3
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2023-12-13
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
To Be Published
6LIT
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BU of 6lit by Molmil
Estrogen-related receptor beta(ERR2) in complex with BPA
分子名称: 10-mer from Nuclear receptor coactivator 2, 4,4'-PROPANE-2,2-DIYLDIPHENOL, Steroid hormone receptor ERR2
著者Yao, B.Q, Li, Y.
登録日2019-12-13
公開日2020-10-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the Specificity of Ligand Binding and Coactivator Assembly by Estrogen-Related Receptor beta.
J.Mol.Biol., 432, 2020
8YY8
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BU of 8yy8 by Molmil
Fzd7 -Gs complex
分子名称: Frizzled-7, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Chen, B, Xu, L, Han, G.W, Xu, F.
登録日2024-04-03
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
6ZZ0
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BU of 6zz0 by Molmil
Structure of the borneol dehydrogenase of Salvia rosmarinus (apo)
分子名称: Borneol Dehydrogenase (salvia rosmarinus) apo structure
著者Dimos, N, Helmer, C.P.O, Loll, B.
登録日2020-08-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases.
Chemcatchem, 13, 2021
9FS7
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BU of 9fs7 by Molmil
Coxsackievirus A16 3C protease in C2 2 21 spacegroup
分子名称: Genome polyprotein
著者Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
登録日2024-06-20
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Coxsackievirus A16 3C protease in C2 2 21 spacegroup
To Be Published
6XZA
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BU of 6xza by Molmil
E. coli 70S ribosome in complex with dirithromycin, and deacylated tRNA(iMet) (focused classification).
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L.
登録日2020-02-03
公開日2020-11-04
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to the E. coli 70S ribosome.
Rna, 26, 2020
9BKP
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BU of 9bkp by Molmil
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
分子名称: FE (III) ION, Rubredoxin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-04-29
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeCl3 solved by Fe/S-SAD
To Be Published
5CZK
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BU of 5czk by Molmil
Structure of E. coli beta-glucuronidase bound with a novel, potent inhibitor 1-((6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea
分子名称: 1-[(6,8-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-hydroxyphenyl)thiourea, Beta-glucuronidase
著者Roberts, A.R, Wallace, B.R, Redinbo, M.R.
登録日2015-07-31
公開日2015-10-14
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure and Inhibition of Microbiome beta-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity.
Chem.Biol., 22, 2015
9BOM
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BU of 9bom by Molmil
Crystal structure of reduced bovine trypsin, 25mM DTT-treated
分子名称: BENZAMIDINE, Cationic trypsin
著者Zhou, D, Chen, L, Rose, J.P, Wang, B.C.
登録日2024-05-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of reduced bovine trypsin, 25mM DTT-treated
To Be Published
6KZE
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BU of 6kze by Molmil
The crystal structue of PDE10A complexed with 4d
分子名称: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
著者Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
登録日2019-09-24
公開日2020-09-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.50003481 Å)
主引用文献Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
8YHV
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BU of 8yhv by Molmil
Structure of the VP40 from Biortus.
分子名称: Matrix protein VP40
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-02-28
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of the VP40 from Biortus.
To Be Published
8XOV
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BU of 8xov by Molmil
The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
分子名称: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
著者Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
登録日2024-01-02
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Crystal Structure of N-terminal kinase domain of human RSK-1 from Biortus.
To Be Published
9ASH
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BU of 9ash by Molmil
Cryo-EM structure of the active Lactococcus lactis Csm bound to target in post-cleavage stage
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CRISPR RNA, CRISPR system Cms endoribonuclease Csm3, ...
著者Wang, B, Goswami, H.N, Li, H.
登録日2024-02-25
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Molecular basis for cA6 synthesis by a type III-A CRISPR-Cas enzyme and its conversion to cA4 production.
Nucleic Acids Res., 2024
9EME
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BU of 9eme by Molmil
AL amyloid fibril from the FOR103 light chain
分子名称: lambda 3 immunoglobulin light chain fragment, residues 2-116
著者Pfeiffer, P.B, Karimi-Farsijani, S, Kupfer, N, Schmidt, M, Faendrich, M.
登録日2024-03-08
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Light chain mutations contribute to defining the fibril morphology in systemic AL amyloidosis.
Nat Commun, 15, 2024
966C
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BU of 966c by Molmil
CRYSTAL STRUCTURE OF FIBROBLAST COLLAGENASE-1 COMPLEXED TO A DIPHENYL-ETHER SULPHONE BASED HYDROXAMIC ACID
分子名称: CALCIUM ION, MMP-1, N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE, ...
著者Lovejoy, B, Welch, A, Carr, S, Luong, C, Broka, C, Hendricks, R.T, Campbell, J, Walker, K, Martin, R, Van Wart, H, Browner, M.F.
登録日1998-08-07
公開日1999-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
Nat.Struct.Biol., 6, 1999
8QYI
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BU of 8qyi by Molmil
OleP in complex with lithocholic acid in high salt crystallization conditions
分子名称: (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid, Cytochrome P-450, FORMIC ACID, ...
著者Fata, F, Costanzo, A, Freda, I, Gugole, E, Bulfaro, G, Barbizzi, L, Di Renzo, M, Savino, C, Vallone, B, Montemiglio, L.C.
登録日2023-10-26
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献OleP in complex with lithocolic acid in high salt crystallization conditions
To Be Published
6XY5
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BU of 6xy5 by Molmil
Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5
分子名称: 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ...
著者Somsen, B.A, Ottmann, C.
登録日2020-01-29
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020

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件を2024-08-21に公開中

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