2OFV
| crystal structure of aminoquinazoline 1 bound to Lck | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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2OFU
| x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck | Descriptor: | 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel 2-Aminopyrimidine Carbamates as Potent and Orally Active Inhibitors of Lck: Synthesis, SAR, and in Vivo Antiinflammatory Activity J.Med.Chem., 49, 2006
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2OG8
| crystal structure of aminoquinazoline 36 bound to Lck | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | Authors: | Huang, X. | Deposit date: | 2007-01-05 | Release date: | 2007-02-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity J.Med.Chem., 49, 2006
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7DNC
| Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | Deposit date: | 2020-12-09 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2. J.Med.Chem., 65, 2022
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7JS6
| Solution NMR structure of des-citrulassin F | Descriptor: | des-citrulassin F | Authors: | Harris, L.A, Mitchell, D.A. | Deposit date: | 2020-08-13 | Release date: | 2020-12-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Reactivity-Based Screening for Citrulline-Containing Natural Products Reveals a Family of Bacterial Peptidyl Arginine Deiminases. Acs Chem.Biol., 15, 2020
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5WH1
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6IGZ
| Structure of PSI-LHCI | Descriptor: | (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Xiong, P, Xiaochun, Q. | Deposit date: | 2018-09-27 | Release date: | 2019-02-13 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits. Nat Plants, 5, 2019
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6M2Z
| Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | Deposit date: | 2020-03-02 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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6M2Y
| Crystal structure of a formolase, BFD variant M6 from Pseudomonas putida | Descriptor: | Benzoylformate decarboxylase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Wei, H.L, Liu, W.D, Li, T.Z, Zhu, L.L. | Deposit date: | 2020-03-02 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Totally atom-economical synthesis of lactic acid from formaldehyde: combined bio-carboligation and chemo-rearrangement without the isolation of intermediate. Green Chem, 22, 2020
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1SDA
| CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S. | Deposit date: | 1993-01-13 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase. Arch.Biochem.Biophys., 299, 1992
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7WL3
| CVB5 expended empty particle | Descriptor: | Capsid protein, Genome polyprotein | Authors: | Yang, P, Wang, K. | Deposit date: | 2022-01-12 | Release date: | 2022-03-30 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Atomic Structures of Coxsackievirus B5 Provide Key Information on Viral Evolution and Survival. J.Virol., 96, 2022
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7XB2
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7XS4
| Crystal structure of URT1 in complex with AAAU RNA | Descriptor: | RNA (5'-R(*AP*AP*AP*U)-3'), UTP:RNA uridylyltransferase 1 | Authors: | Hu, Q, Zhu, L.R, lv, M.Q, Gong, Q.G. | Deposit date: | 2022-05-12 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Molecular mechanism underlying the di-uridylation activity of Arabidopsis TUTase URT1. Nucleic Acids Res., 50, 2022
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7XUX
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8IJA
| Cryo-EM structure of human HCAR2-Gi complex with niacin | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-26 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJ3
| Cryo-EM structure of human HCAR2-Gi complex without ligand (apo state) | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-24 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJB
| Cryo-EM structure of human HCAR2-Gi complex with acipimox | Descriptor: | 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid, 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, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8IJD
| Cryo-EM structure of human HCAR2-Gi complex with MK-6892 | Descriptor: | 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 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, ... | Authors: | Pan, X, Fang, Y. | Deposit date: | 2023-02-27 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Structural insights into ligand recognition and selectivity of the human hydroxycarboxylic acid receptor HCAR2. Cell Discov, 9, 2023
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8J2W
| Saccharothrix syringae photocobilins protein, dark state | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 5'-DEOXYADENOSINE, BILIVERDINE IX ALPHA, ... | Authors: | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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8J2Y
| Acidimicrobiaceae bacterium photocobilins protein, dark state | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhang, S, Poddar, H, Levy, W.C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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8J2X
| Saccharothrix syringae photocobilins protein, light state | Descriptor: | BILIVERDINE IX ALPHA, COBALAMIN, Cobalamin-binding protein, ... | Authors: | Zhang, S, Poddar, H, Levy, C, Leys, D. | Deposit date: | 2023-04-15 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Photocobilins integrate B12 and bilin photochemistry for enzyme control. Nat Commun, 15, 2024
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7EOH
| Crystal structure of the Pepper aptamer in complex with HBC | Descriptor: | 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, Pepper (49-MER) | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.637 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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7EOL
| Crystal structure of the Pepper aptamer in complex with HBC497 | Descriptor: | 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Huang, K.Y, Ren, A.M. | Deposit date: | 2021-04-22 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Structure-based investigation of fluorogenic Pepper aptamer. Nat.Chem.Biol., 17, 2021
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7EOG
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7EOI
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