7D78
 
 | | The structure of thioesterase DcsB | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ... | | 著者 | Tang, Y, Zhou, J.H, Wang, G.Q. | | 登録日 | 2020-10-03 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.96543121 Å) | | 主引用文献 | A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
|
|
7V9L
 | | Cryo-EM structure of the SV1-Gs complex. | | 分子名称: | GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, 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 | Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W. | | 登録日 | 2021-08-26 | | 公開日 | 2022-04-06 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6HRZ
 | | EthR2 in complex with compound 4 (BDM72170) | | 分子名称: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
|
|
3MI7
 | | An Enhanced Repressor of Human Papillomavirus E2 Protein | | 分子名称: | 1,2-ETHANEDIOL, Regulatory protein E2 | | 著者 | Bohm, A, Baleja, J, Bose, K, Meinke, G. | | 登録日 | 2010-04-09 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Design and characterization of an enhanced repressor of human papillomavirus E2 protein.
Faseb J., 25, 2011
|
|
8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | 分子名称: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | 著者 | Dalton, M.P, Coleman, J.A. | | 登録日 | 2023-07-17 | | 公開日 | 2023-10-25 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | | 主引用文献 | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
|
|
7VVA
 | | Pseudouridine bound structure of Pseudouridine kinase (PUKI) from Escherichia coli strain B | | 分子名称: | 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, Pseudouridine kinase | | 著者 | Kim, S.H, Rhee, S. | | 登録日 | 2021-11-05 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.75029182 Å) | | 主引用文献 | Substrate-binding loop interactions with pseudouridine trigger conformational changes that promote catalytic efficiency of pseudouridine kinase PUKI.
J.Biol.Chem., 298, 2022
|
|
5JDI
 | | Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2) | | 分子名称: | 3,6-dihydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello lacono, L, Mangani, S. | | 登録日 | 2016-04-16 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
|
|
6HYC
 | |
6TLD
 | | Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2 | | 分子名称: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | | 著者 | Shaik, T.B, Romier, C. | | 登録日 | 2019-12-02 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors.
Chemmedchem, 15, 2020
|
|
6SAJ
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12) | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-16 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
|
|
7A0W
 | | Structure of dimeric sodium proton antiporter NhaA, at pH 8.5, crystallized with chimeric Fab antibodies | | 分子名称: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, CARDIOLIPIN, CHLORIDE ION, ... | | 著者 | Fippel, A, Gross, N.M, Mir, S.H, Wirth, C, Hunte, C. | | 登録日 | 2020-08-11 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Molecular determinants for substrate uptake in electrogenic sodium/proton antiporters
To Be Published
|
|
6SB8
 | | Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7) | | 分子名称: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | | 著者 | Huegle, M. | | 登録日 | 2019-07-19 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
|
|
6M2W
 | | Structure of RyR1 (Ca2+/Caffeine/ATP/CaM1234/CHL) | | 分子名称: | 5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, ... | | 著者 | Ma, R, Haji-Ghassemi, O, Ma, D, Lin, L, Samurkas, A, Van Petegem, F, Yuchi, Z. | | 登録日 | 2020-03-01 | | 公開日 | 2020-09-02 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis for diamide modulation of ryanodine receptor.
Nat.Chem.Biol., 16, 2020
|
|
7AAM
 | | Crystal structure of the F-BAR domain of PSTIPIP1 bound to the CTH domain of the phosphatase LYP | | 分子名称: | GLYCEROL, Proline-serine-threonine phosphatase-interacting protein 1, Tyrosine-protein phosphatase non-receptor type 22 | | 著者 | Manso, J.A, Alcon, P, Bayon, Y, Alonso, A, de Pereda, J.M. | | 登録日 | 2020-09-04 | | 公開日 | 2022-02-23 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders.
Cell.Mol.Life Sci., 79, 2022
|
|
6FMK
 | | pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4) | | 分子名称: | Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ... | | 著者 | Soares, P, Lucas, X, Ciulli, A. | | 登録日 | 2018-01-31 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
|
|
8U4V
 | |
3M9K
 | | Crystal structure of human thioredoxin C69/73S double-mutant, oxidized form | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, SULFATE ION, Thioredoxin | | 著者 | Weichsel, A, Montfort, W.R. | | 登録日 | 2010-03-22 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal structure of human thioredoxin revealing an unraveled helix and exposed S-nitrosation site.
Protein Sci., 19, 2010
|
|
9I52
 | | Dopamine 1 receptor:GaS complex bound to 19B | | 分子名称: | 6-(4-imidazo[1,2-a]pyridin-8-yl-2-methyl-phenyl)-1,5-dimethyl-pyrimidine-2,4-dione, Beta-2 adrenergic receptor,D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Clairfeuille, T, Rodriguez Sarmiento, R.M. | | 登録日 | 2025-01-27 | | 公開日 | 2025-07-16 | | 最終更新日 | 2025-07-23 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Orally Bioavailable Dopamine D1/D5 Receptor-Biased Agonists to Study the Role of beta-Arrestin in Treatment-Related Dyskinesia in Parkinson's Disease.
J.Med.Chem., 68, 2025
|
|
5JRQ
 | | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ... | | 著者 | Grasso, M.J, Marmorstein, R. | | 登録日 | 2016-05-06 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | | 主引用文献 | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
|
|
9GDV
 | |
8K5V
 | | Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor | | 分子名称: | 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | | 著者 | Kamitani, M, Mima, M, Nishikawa-Shimono, R. | | 登録日 | 2023-07-24 | | 公開日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
|
|
5JT5
 | |
4YNK
 | | Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound | | 分子名称: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ... | | 著者 | Watarai, Y, Ikura, T, Ito, N. | | 登録日 | 2015-03-10 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds
J.Med.Chem., 58, 2015
|
|
7THH
 | | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | 著者 | Osipiuk, J, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2022-01-11 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | SUD-C and Ubl2 domains of SARS CoV-2 Nsp3 protein
to be published
|
|
8TXH
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | 分子名称: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Chen, P, Irimia, A, Yang, Z. | | 登録日 | 2023-08-23 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
|
|
