7UM7
| CryoEM structure of Go-coupled 5-HT5AR in complex with Methylergometrine | Descriptor: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM5
| CryoEM structure of Go-coupled 5-HT5AR in complex with 5-CT | Descriptor: | 3-(2-azanylethyl)-1H-indole-5-carboxamide, 5-hydroxytryptamine receptor 5A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM4
| Crystal structure of inactive 5-HT5AR in complex with AS2674723 | Descriptor: | 5-hydroxytryptamine receptor 5A, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Zhang, S, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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7UM6
| CryoEM structure of Go-coupled 5-HT5AR in complex with Lisuride | Descriptor: | 5-hydroxytryptamine receptor 5A, 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, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-04-06 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Inactive and active state structures template selective tools for the human 5-HT 5A receptor. Nat.Struct.Mol.Biol., 29, 2022
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8E9W
| CryoEM structure of miniGq-coupled hM3Dq in complex with DCZ | Descriptor: | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-27 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics. Nature, 612, 2022
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8E9X
| CryoEM structure of miniGo-coupled hM4Di in complex with DCZ | Descriptor: | 11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-27 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics. Nature, 612, 2022
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8E9Y
| CryoEM structure of miniGq-coupled hM3Dq in complex with CNO | Descriptor: | 8-chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, 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, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-27 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics. Nature, 612, 2022
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8EA0
| CryoEM structure of miniGq-coupled hM3R in complex with iperoxo (local refinement) | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Muscarinic acetylcholine receptor M3 | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-27 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics. Nature, 612, 2022
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8E9Z
| CryoEM structure of miniGq-coupled hM3R in complex with Iperoxo | Descriptor: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium, CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, S, Fay, J.F, Roth, B.L. | Deposit date: | 2022-08-27 | Release date: | 2022-11-30 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Molecular basis for selective activation of DREADD-based chemogenetics. Nature, 612, 2022
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6W8K
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 5,6-dimethyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Augelli-Szafran, C.E, Pathak, A.K, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8M
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-1,2-dihydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-20 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8Q
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8Z
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | Nonstructural polyprotein, methyl 2-oxo-1,2-dihydroquinazoline-4-carboxylate | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W8Y
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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6W91
| Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | Descriptor: | Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate | Authors: | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | Deposit date: | 2020-03-21 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design. Plos One, 16, 2021
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8IYQ
| Structure of CbCas9 bound to 20-nucleotide complementary DNA substrate | Descriptor: | NTS, TS, deadCbCas9, ... | Authors: | Zhang, S, Lin, S, Liu, J.J.G. | Deposit date: | 2023-04-05 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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7N6W
| Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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7N6U
| Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806 | Descriptor: | 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, S, Wang, K, Mao, Y. | Deposit date: | 2021-06-09 | Release date: | 2021-09-22 | Last modified: | 2021-12-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer. J.Virol., 95, 2021
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8WMH
| Structure of CbCas9 bound to 6-nucleotide complementary DNA substrate | Descriptor: | NTS, TS, deadCbCas9, ... | Authors: | Zhang, S, Lin, S, Liu, J.J.G. | Deposit date: | 2023-10-03 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WMM
| Structure of CbCas9-PcrIIC1 complex bound to 28-bp DNA substrate (20-nt complementary) | Descriptor: | MAGNESIUM ION, NTS, PcrIIC1, ... | Authors: | Zhang, S, Lin, S, Liu, J.J.G. | Deposit date: | 2023-10-04 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WMN
| Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (symmetric 20-nt complementary) | Descriptor: | DNA (62-MER), MAGNESIUM ION, PcrIIC1, ... | Authors: | Zhang, S, Lin, S, Liu, J.J.G. | Deposit date: | 2023-10-04 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (2.82 Å) | Cite: | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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8WR4
| Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (non-targeting complex) | Descriptor: | CbCas9 effector-1, DNA (62-MER), MAGNESIUM ION, ... | Authors: | Zhang, S, Lin, S, Liu, J.J.G. | Deposit date: | 2023-10-13 | Release date: | 2024-06-05 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity. Nature, 630, 2024
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2MDA
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7D14
| Mouse KCC2 | Descriptor: | Solute carrier family 12 member 5 | Authors: | Zhang, S, Yang, M. | Deposit date: | 2020-09-13 | Release date: | 2021-04-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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7D10
| Human NKCC1 | Descriptor: | PALMITIC ACID, Solute carrier family 12 member 2 | Authors: | Zhang, S, Yang, M. | Deposit date: | 2020-09-12 | Release date: | 2021-04-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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