5TTZ
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7Y4T
| Crystal structure of cMET kinase domain bound by compound 9I | Descriptor: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7Y4U
| Crystal structure of cMET kinase domain bound by compound 9Y | Descriptor: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | Authors: | Qu, L.Z, Chen, Y.H. | Deposit date: | 2022-06-16 | Release date: | 2022-11-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7M2K
| CDC34A-Ubiquitin-2ab inhibitor complex | Descriptor: | 4-[(3',5'-dichloro[1,1'-biphenyl]-4-yl)methyl]-N-ethyl-1-(methoxyacetyl)piperidine-4-carboxamide, Ubiquitin, Ubiquitin-conjugating enzyme E2 R1 | Authors: | Ceccarelli, D.F, St-Cyr, D, Tyers, M, Sicheri, F. | Deposit date: | 2021-03-16 | Release date: | 2021-11-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Identification and optimization of molecular glue compounds that inhibit a noncovalent E2 enzyme-ubiquitin complex. Sci Adv, 7, 2021
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4E50
| Calmodulin and Ng peptide complex | Descriptor: | Calmodulin, Linker, IQ motif of Neurogranin | Authors: | Kumar, V, Sivaraman, J. | Deposit date: | 2012-03-13 | Release date: | 2013-03-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin Sci Rep, 3, 2013
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4FHZ
| Crystal structure of a carboxyl esterase at 2.0 angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | Deposit date: | 2012-06-07 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution. Appl.Microbiol.Biotechnol., 97, 2013
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7BWJ
| crystal structure of SARS-CoV-2 antibody with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Wang, X, Ge, J. | Deposit date: | 2020-04-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020
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4FTW
| Crystal structure of a carboxyl esterase N110C/L145H at 2.3 angstrom resolution | Descriptor: | 3-CYCLOHEXYLPROPYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE, CHLORIDE ION, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | Deposit date: | 2012-06-28 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution. Appl.Microbiol.Biotechnol., 97, 2013
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4GEK
| Crystal Structure of wild-type CmoA from E.coli | Descriptor: | (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate, SULFATE ION, tRNA (cmo5U34)-methyltransferase | Authors: | Kim, J, Toro, R, Bonanno, J.B, Bhosle, R, Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2012-08-02 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided discovery of the metabolite carboxy-SAM that modulates tRNA function Nature, 498, 2013
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5ZMD
| Crystal structure of FTO in complex with m6dA modified ssDNA | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ... | Authors: | Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4HEX
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5YVK
| Crystal structure of a cyclase Famc1 from Fischerella ambigua UTEX 1903 | Descriptor: | CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium, cyclase | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-26 | Release date: | 2018-11-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.292 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z54
| Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 in complex with cyclo-L-Arg-D-Pro | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-17 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVP
| Crystal structure of an apo form cyclase Filc1 from Fischerella sp. TAU | Descriptor: | CALCIUM ION, TETRAETHYLENE GLYCOL, cyclase A | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-27 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5Z53
| Crystal structure of a cyclase Filc from Fischerella sp. in complex with cyclo-L-Arg-D-Pro | Descriptor: | 12-epi-hapalindole U synthase, CALCIUM ION, SULFATE ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-16 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5YVL
| Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-11-26 | Release date: | 2018-11-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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5ZFJ
| Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-03-06 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A98
| Crystal structure of a cyclase from Fischerella sp. TAU | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, aromatic prenyltransferase, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-12 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A8X
| Crystal structure of a apo form cyclase from Fischerella sp. | Descriptor: | CALCIUM ION, aromatic prenyltransferase | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-11 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6A92
| Crystal structure of a cyclase Filc1 from Fischerella sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-11 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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4NKG
| Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain | Descriptor: | E3 ubiquitin-protein ligase sspH1, HEXANE-1,6-DIOL, Serine/threonine-protein kinase N1 | Authors: | Keszei, A.F.A, Xiaojing, T, Mccormick, C, Zeqiraj, E, Rohde, J.R, Tyers, M, Sicheri, F. | Deposit date: | 2013-11-12 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of an SspH1-PKN1 Complex Reveals the Basis for Host Substrate Recognition and Mechanism of Activation for a Bacterial E3 Ubiquitin Ligase. Mol.Cell.Biol., 34, 2014
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6A99
| Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-12 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6ADU
| Crystal structure of an enzyme in complex with ligand C | Descriptor: | (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-08-02 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement. Angew.Chem.Int.Ed.Engl., 57, 2018
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6A9F
| Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one | Descriptor: | 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ... | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-07-13 | Release date: | 2018-12-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl., 57, 2018
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6KZC
| crystal structure of TRKc in complex with 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-N-(3-((4- methylpiperazin-1-yl)methyl)-5- (trifluoromethyl)phenyl)benzamide | Descriptor: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide, NT-3 growth factor receptor | Authors: | Zhang, Z.M, Wang, Y. | Deposit date: | 2019-09-23 | Release date: | 2019-10-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors. Eur.J.Med.Chem., 179, 2019
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