8ZHD
| SARS-CoV-2 spike trimer (6P) in complex with two R1-26 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-10 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHH
| SARS-CoV-2 spike trimer (6P) in complex with two H18 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-10 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (5.55 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHI
| SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (6.05 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHJ
| SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C1 symmetry) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (8.45 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHL
| SARS-CoV-2 spike trimer (6P) in complex with two H18 and two R1-32 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.96 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZHM
| SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | Deposit date: | 2024-05-11 | Release date: | 2024-08-21 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants To Be Published
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8ZJ2
| Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.66 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 300, 2024
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8ZLI
| BTA-2-bound E46K alpha-synuclein fibrils | Descriptor: | Alpha-synuclein, ~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline | Authors: | Liu, K.E, Tao, Y.Q, Li, D, Liu, C. | Deposit date: | 2024-05-20 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils. Proc.Natl.Acad.Sci.USA, 121, 2024
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8ZM1
| Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | Descriptor: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-22 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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8ZM2
| Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 16 | Descriptor: | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-22 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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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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8ZMG
| Crystal structure of an inverse agonist antipsychotic drug pimavanserin-bound 5-HT2A | Descriptor: | 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, Pimavanserin | 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: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.4 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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8ZMR
| Vesamicol-bound VAChT | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPinoff7, vesamicol | Authors: | Zhang, Z, Zhang, Y, Dai, F, Zhang, Y.X, Lee, C.-H. | Deposit date: | 2024-05-23 | Release date: | 2024-06-19 | Last modified: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into VAChT neurotransmitter recognition and inhibition. Cell Res., 34, 2024
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8ZNR
| Cryo-EM structure of Cas8-HNH system at ssDNA-bound state | Descriptor: | DNA (35-MER), RNA (56-MER), protein structure | Authors: | Zhang, H, Zhu, H, Li, X, Liu, Y. | Deposit date: | 2024-05-28 | Release date: | 2024-10-02 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the type I-F Cas8-HNH system. Embo J., 2024
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8ZP1
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8ZP2
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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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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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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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8ZTX
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 6b | Descriptor: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-pyridin-4-yl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-07 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.70033228795 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZU2
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8g | Descriptor: | 2-azanyl-5-[2-(1,4-diazepan-1-yl)pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, GLYCINE, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-07 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.79888582046 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZUD
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f | Descriptor: | 2-azanyl-3-(2,6-dimethyl-3-oxidanyl-phenyl)-5-(2-morpholin-4-ylpyridin-4-yl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-08 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.5051008788 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZUL
| Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8m | Descriptor: | 2-azanyl-5-[2-[(3~{R})-3-azanylpyrrolidin-1-yl]pyridin-4-yl]-3-(2,6-dimethyl-3-oxidanyl-phenyl)benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | Authors: | Zhang, Z.M, Zhou, Z.Q. | Deposit date: | 2024-06-09 | Release date: | 2024-09-11 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.80026162696 Å) | Cite: | Structure-Based Drug Design of 2-Amino-[1,1'-biphenyl]-3-carboxamide Derivatives as Selective PKMYT1 Inhibitors for the Treatment of CCNE1 -Amplified Breast Cancer. J.Med.Chem., 67, 2024
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8ZYP
| Cryo-EM Structure of E-4031-bound hERG Channel | Descriptor: | Potassium voltage-gated channel subfamily H member 2, ~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | Deposit date: | 2024-06-18 | Release date: | 2024-09-18 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Improved higher resolution cryo-EM structures reveal the binding modes of hERG channel inhibitors. Structure, 2024
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