8ZSP
| Cryo-EM structure of the LSD-bound hTAAR1-Gs complex | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 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: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSV
| Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex | Descriptor: | (4~{S})-4-(3-fluoranyl-2-methyl-phenyl)-1,3-oxazolidin-2-amine, 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: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZSJ
| Cryo-EM structure of the apo hTAAR1-Gs complex | Descriptor: | CHOLESTEROL, 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: | Jiang, K.X, Zheng, Y, Xu, F. | Deposit date: | 2024-06-05 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The versatile binding landscape of the TAAR1 pocket for LSD and other antipsychotic drug molecules. Cell Rep, 43, 2024
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8ZQE
| Cryo-EM structure of the GPR15L(C11)-bound GPR15 complex | Descriptor: | GPR15, 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: | Zhang, Z.Y, Zheng, Y, Xu, F. | Deposit date: | 2024-06-02 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular recognition of the atypical chemokine-like peptide GPR15L by its cognate receptor GPR15. Cell Discov, 10, 2024
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6AAS
| Solution Structure for helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (28-MER) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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2MXP
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6E68
| NAMPT co-crystal with inhibitor compound 2 | Descriptor: | (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Waight, A.B, Neumann, C.S. | Deposit date: | 2018-07-24 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | NAMPT co-crystal with inhibitor compound 2 to be published
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6UE6
| PWWP1 domain of NSD2 in complex with MR837 | Descriptor: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2. J.Med.Chem., 64, 2021
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2MOX
| solution structure of tandem SH3 domain of Sorbin and SH3 domain-containing protein 1 | Descriptor: | Sorbin and SH3 domain-containing protein 1 | Authors: | Zhao, D, Wang, C, Zhang, J, Wu, J, Shi, Y, Zhang, Z, Gong, Q. | Deposit date: | 2014-05-07 | Release date: | 2014-05-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin J.Struct.Biol., 187, 2014
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6UVK
| OXA-48 bound by inhibitor CDD-97 | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[4-(2-ethoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl}piperidine-4-carboxylic acid, Beta-lactamase, ... | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Sankaran, B, Palzkill, T.G. | Deposit date: | 2019-11-02 | Release date: | 2020-05-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identifying Oxacillinase-48 Carbapenemase Inhibitors Using DNA-Encoded Chemical Libraries. Acs Infect Dis., 6, 2020
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8K8J
| Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 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: | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | Deposit date: | 2023-07-30 | Release date: | 2024-02-14 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1. Adv Sci, 11, 2024
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7DBI
| Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH | Descriptor: | acyl-CoA hydrolase MpaH' | Authors: | Li, S.Y, You, C. | Deposit date: | 2020-10-20 | Release date: | 2021-04-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis. Febs J., 288, 2021
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7DBL
| Acyl-CoA hydrolase MpaH' mutant S139A in complex with MPA | Descriptor: | MYCOPHENOLIC ACID, acyl-CoA hydrolase MpaH' | Authors: | Li, S.Y, You, C. | Deposit date: | 2020-10-20 | Release date: | 2021-04-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis. Febs J., 288, 2021
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6G24
| X-ray structure of NSD3-PWWP1 in complex with compound 3 | Descriptor: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2C
| X-ray structure of NSD3-PWWP1 in complex with compound 9 | Descriptor: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6D2L
| Crystal structure of human CARM1 with (S)-SKI-72 | Descriptor: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | Authors: | DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-04-13 | Release date: | 2018-05-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion. Elife, 8, 2019
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6G2O
| X-ray structure of NSD3-PWWP1 in complex with compound BI-9321 | Descriptor: | Histone-lysine N-methyltransferase NSD3, [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G25
| X-ray structure of NSD3-PWWP1 in complex with compound 4 | Descriptor: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.432 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2B
| X-ray structure of NSD3-PWWP1 in complex with compound 8 | Descriptor: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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1QFD
| NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | Descriptor: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | Authors: | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | Deposit date: | 1999-04-08 | Release date: | 1999-07-16 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth. J.Biol.Chem., 274, 1999
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6G27
| X-ray structure of NSD3-PWWP1 in complex with compound 5 | Descriptor: | 5-methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6CBY
| Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | Descriptor: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | Authors: | ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-05 | Release date: | 2018-03-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase. J.Med.Chem., 62, 2019
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6G29
| X-ray structure of NSD3-PWWP1 in complex with compound 6 | Descriptor: | 5-methyl-2-piperidin-4-yl-6-pyridin-4-yl-pyridazin-3-one, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G2E
| X-ray structure of NSD3-PWWP1 in complex with compound 13 | Descriptor: | Histone-lysine N-methyltransferase NSD3, [3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-23 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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6G3T
| X-ray structure of NSD3-PWWP1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-26 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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