7NZN
 
 | | Structure of RET kinase domain bound to inhibitor JB-48 | | Descriptor: | 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret | | Authors: | Briggs, D.C, McDonald, N.Q. | | Deposit date: | 2021-03-24 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
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7YVR
 | | Crystal Structure of L-Threonine Aldolase from Neptunomonas marina | | Descriptor: | GLYCEROL, L-threonine aldolase | | Authors: | He, Y.Z, Wang, J, Yan, W.P, Zhang, Y, Feng, Y. | | Deposit date: | 2022-08-19 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Engineering of the L-Threonine Aldolase from Neptunomonas marine for the Efficient Synthesis of beta-Hydroxy-alpha-amino Acids via C-C Formation
Acs Catalysis, 2023
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3U2Q
 | | EF-Tu (Escherichia coli) in complex with NVP-LFF571 | | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Palestrant, D.J. | | Deposit date: | 2011-10-04 | | Release date: | 2012-05-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of LFF571: an investigational agent for Clostridium difficile infection.
J.Med.Chem., 55, 2012
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7BPU
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6M31
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7N7V
 | | Crystal structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes at 2 A. | | Descriptor: | CHLORIDE ION, FE (II) ION, Predicted hydroxylase | | Authors: | Han, L, Xu, W, Ma, M, Miller, M.D, Shen, B, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2021-06-11 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of TtnM, a Fe(II)-alpha-ketoglutarate-dependent hydroxylase from the tautomycetin biosynthesis pathway in Streptomyces griseochromogenes.
To Be Published
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3RY0
 | | Crystal structure of TomN, a 4-Oxalocrotonate Tautomerase homologue in Tomaymycin biosynthetic pathway | | Descriptor: | Putative tautomerase | | Authors: | Zhang, Y, Yan, W.P, Li, W.Z, Whitman, C.P. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Kinetic, Crystallographic, and Mechanistic Characterization of TomN: Elucidation of a Function for a 4-Oxalocrotonate Tautomerase Homologue in the Tomaymycin Biosynthetic Pathway.
Biochemistry, 50, 2011
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8WC4
 | | Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex | | Descriptor: | 2-(4-bromophenyl)ethanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC3
 | | Cryo-EM structure of the SEP363856-bound mTAAR1-Gs complex | | Descriptor: | 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC5
 | | Cryo-EM structure of the TMA-bound mTAAR1-Gs complex | | 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(s) subunit alpha isoforms short, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WCA
 | | Cryo-EM structure of the PEA-bound hTAAR1-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC9
 | | Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex | | Descriptor: | 2-(4-bromophenyl)ethanamine, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC8
 | | Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex | | Descriptor: | 2-(4-bromophenyl)ethanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC6
 | | Cryo-EM structure of the PEA-bound mTAAR1-Gs complex | | Descriptor: | 2-PHENYLETHYLAMINE, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WCC
 | | Cryo-EM structure of the CHA-bound mTAAR1 complex | | Descriptor: | CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1 | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WC7
 | | Cryo-EM structure of the ZH8667-bound mTAAR1-Gs complex | | Descriptor: | 2-[4-(3-fluorophenyl)phenyl]ethanamine, 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: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8WCB
 | | Cryo-EM structure of the CHA-bound mTAAR1-Gq complex | | Descriptor: | CYCLOHEXYLAMMONIUM ION, Engineered G-alpha-q subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | Deposit date: | 2023-09-11 | | Release date: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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8HCI
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8HI8
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8HI7
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6WF5
 | | Crystal structure of human Naa50 in complex with a truncated cofactor derived inhibitor (compound 2) | | Descriptor: | (2R)-2-hydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide, ACE-MET-LEU-GLY-PRO-NH2, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFG
 | | Crystal structure of human Naa50 in complex with an inhibitor (compound 3) identified using DNA encoded library technology | | Descriptor: | (2S)-N-[(2S)-3-[1-(3-tert-butyl-1-methyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-1-(methylamino)-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFO
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4b) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WF3
 | | Crystal structure of human Naa50 in complex with a cofactor derived inhibitor (compound 1) | | Descriptor: | ACE-MET-LEU-GLY-PRO-NH2, COENZYME A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.291 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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6WFN
 | | Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology | | Descriptor: | (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50 | | Authors: | Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E. | | Deposit date: | 2020-04-03 | | Release date: | 2020-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
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