8XRX
 
 | | The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose | | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ... | | Authors: | Su, J.Y. | | Deposit date: | 2024-01-08 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
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6XRJ
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8KHU
 | | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | | Descriptor: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2023-08-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
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2JXW
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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5GQT
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4YES
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8WBX
 | | Cryo-EM structure of the ABCG25 bound to ABA | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25 | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-10 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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8WAM
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8WD6
 | | Cryo-EM structure of the ABCG25 | | Descriptor: | ABC transporter G family member 25 | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-14 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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8WBA
 | | Cryo-EM structure of the ABCG25 bound to CHS | | Descriptor: | ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE | | Authors: | Xin, J, Yan, K.G. | | Deposit date: | 2023-09-09 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into AtABCG25, an angiosperm-specific abscisic acid exporter.
Plant Commun., 5, 2024
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7E9H
 | | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4 | | 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-3, ... | | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2021-03-04 | | Release date: | 2021-06-23 | | Last modified: | 2021-07-07 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
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7E9G
 | | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2 | | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ... | | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | | Deposit date: | 2021-03-04 | | Release date: | 2021-06-23 | | Last modified: | 2021-08-04 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
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5AGR
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 1,2-ETHANEDIOL, 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine, LEUCINE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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8YLB
 | | Cocrystal structures of agonists compound 1 with HsClpP | | Descriptor: | 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Zhao, N, Zhu, Y, Bao, R. | | Deposit date: | 2024-03-06 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
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8IKH
 | | Cryo-EM structure of human receptor with G proteins | | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, S.Y, Shao, Z.H. | | Deposit date: | 2023-02-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
 | | Cryo-EM structure of human receptor with G proteins | | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, S.Y, Shao, Z.H. | | Deposit date: | 2023-02-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8J63
 | | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2023-04-24 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.0005 Å) | | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.
J.Med.Chem., 66, 2023
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5GZE
 | | Galectin-8 N-terminal domain carbohydrate recognition domain | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2016-09-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
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5EOL
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5GZG
 | | Galectin-8 N-terminal domain carbohydrate recognition domain | | Descriptor: | Galectin-8, NICKEL (II) ION, SODIUM ION, ... | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2016-09-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
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5AGT
 | | Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-4-chloro-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP | | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, GLYCEROL, LEUCINE--TRNA LIGASE, ... | | Authors: | Palencia, A, Li, X, Alley, M.R.K, Ding, C, Easom, E.E, Hernandez, V, Meewan, M, Mohan, M, Rock, F.L, Franzblau, S.G, Wang, Y, Lenaerts, A.J, Parish, T, Cooper, C.B, Waters, M.G, Ma, Z, Mendoza, A, Barros, D, Cusack, S, Plattner, J.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
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5GZC
 | | Crystal structure of Galectin-8 N-CRD with part of linker | | Descriptor: | GLYCEROL, Galectin-8, SODIUM ION | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2016-09-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
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5GZD
 | | Galectin-8 N-terminal domain carbohydrate recognition domain | | Descriptor: | Galectin-8, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J.Y, Si, Y.L. | | Deposit date: | 2016-09-28 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Crystallization of Galectin-8 Linker Reveals Intricate Relationship between the N-terminal Tail and the Linker.
Int J Mol Sci, 17, 2016
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8KG5
 | | Prefusion RSV F Bound to Lonafarnib and D25 Fab | | Descriptor: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ... | | Authors: | Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X. | | Deposit date: | 2023-08-17 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
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