9FQI
 
 | | E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7) | | Descriptor: | 8-[3-[(4~{R})-4-methyl-2-oxidanylidene-piperidin-4-yl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FQJ
 | | E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12) | | Descriptor: | 2-cyclopropyl-6-methyl-~{N}-[3-[(6~{S})-6-methyl-2-oxidanylidene-1,3-oxazinan-6-yl]phenyl]pyrimidine-4-carboxamide, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.563 Å) | | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9FQH
 | | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | | Descriptor: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9C82
 | | Structure of human ULK1C:PI3KC3-C1 supercomplex | | Descriptor: | Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Chen, M, Hurley, J.H. | | Deposit date: | 2024-06-11 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6.84 Å) | | Cite: | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex
bioRxiv, 2023
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9C62
 | | P400 subcomplex of the native human TIP60 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-07 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (5.28 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9C6N
 | | ARP module of the human TIP60 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-07 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9C57
 | | Reconstituted P400 Subcomplex of the human TIP60 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-05 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.75 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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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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8ZSS
 | | Cryo-EM structure of the RO5263397-bound hTAAR1-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 (3.07 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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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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9FMD
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8ZR5
 | | Cryo-EM Structure of GPR119-Gs-Firuglipel complex | | Descriptor: | 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wong, T.S, Zeng, Z.C, Xiong, T.T, Gan, S.Y, Qiu, C, Du, Y. | | Deposit date: | 2024-06-04 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.31 Å) | | Cite: | Cryo-EM structure of GPR119-Gs complex
To Be Published
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8ZRK
 | | Cryo-EM structure of GPR119-Gs Complex with small molecule agonist GSK-1292263 | | Descriptor: | 5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Wong, T.S, Xiong, T.T, Zeng, Z.C, Gan, S.Y, Qiu, C, Du, Y. | | Deposit date: | 2024-06-04 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Cryo-EM structure of GPR119-Gs complex
To be published
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9C4B
 | | Second BAF53a of the human TIP60 complex | | Descriptor: | Actin-like protein 6A | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-03 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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8ZQ3
 | | Structure of ORP1L-RAB7A in the presence of GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Oxysterol-binding protein-related protein 1, Ras-related protein Rab-7a | | Authors: | Lu, Q, Zhang, J, Xu, C. | | Deposit date: | 2024-05-31 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure of GDP-bound Rab7 Q67L in complex with ORP1L.
Biochem.Biophys.Res.Commun., 725, 2024
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9FJE
 | | Expanded formalin inactivated CVB1 | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
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9FJD
 | | Expanded CVB1-VLP (Tween80) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
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9FJC
 | | Compact CVB1-VLP (Tween80) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J. | | Deposit date: | 2024-05-30 | | Release date: | 2024-07-31 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Comparison of structure and immunogenicity of CVB1-VLP and inactivated CVB1 vaccine candidates.
Res Sq, 2024
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9C1W
 | | Structure of AKT2 with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | | Authors: | Craven, G.B, Ma, X, Taunton, J. | | Deposit date: | 2024-05-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
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8ZOZ
 | | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution. | | Descriptor: | ADENOSINE MONOPHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | | Authors: | Pahuja, P, Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-29 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the complex of glyceraldehyde-3-phosphate dehydrogenase of type B from Acinetobacter baumannii with Adenosine monophosphate at 3.20 A resolution.
To Be Published
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8ZN1
 | | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution
To Be Published
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8ZN4
 | | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution
To Be Published
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8ZMN
 | | Crystal structure of ANTXR1 | | Descriptor: | Anthrax toxin receptor 1, SODIUM ION | | Authors: | Zheng, H, Hu, J, Fu, L, Chen, R. | | Deposit date: | 2024-05-23 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | X-ray structure of Anthrax toxin receptor 1 APO from Rattus norvegicus
To Be Published
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8ZMF
 | | Crystal structure of an inverse agonist antipsychotic drug derivative-bound 5-HT2C | | Descriptor: | 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea, 5-hydroxytryptamine receptor 2C,Soluble cytochrome b562 | | Authors: | Oguma, T, Asada, H, Sekiguchi, Y, Imono, M, Iwata, S, Kusakabe, K. | | Deposit date: | 2024-05-23 | | Release date: | 2024-08-28 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Dual 5-HT 2A and 5-HT 2C Receptor Inverse Agonist That Affords In Vivo Antipsychotic Efficacy with Minimal hERG Inhibition for the Treatment of Dementia-Related Psychosis.
J.Med.Chem., 67, 2024
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