3K98
 
 | | HSP90 N-terminal domain in complex with (1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide | | Descriptor: | (1R)-2-[(5-chloro-2,4-dihydroxyphenyl)carbonyl]-N-ethyl-2,3-dihydro-1H-isoindole-1-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | Authors: | Gajiwala, K.S, Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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3K99
 | | HSP90 N-terminal domain in complex with 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | Descriptor: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, Heat shock protein HSP 90-alpha | | Authors: | Gajiwala, K.S, Davies II, J.F. | | Deposit date: | 2009-10-15 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Dihydroxyphenylisoindoline amides as orally bioavailable inhibitors of the heat shock protein 90 (hsp90) molecular chaperone.
J.Med.Chem., 53, 2010
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3K97
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7WLJ
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with mibefradil (MIB) | | Descriptor: | (1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLL
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with pimozide(PMZ) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLK
 | | CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex with Otilonium Bromide(OB) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7WLI
 | | CryoEM structure of human low-voltage activated T-type calcium channel CaV3.3 (apo) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | He, L, Yu, Z, Dong, Y, Chen, Q, Zhao, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure, gating, and pharmacology of human Ca V 3.3 channel.
Nat Commun, 13, 2022
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7XQ8
 | | Structure of human B-cell antigen receptor of the IgM isotype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ... | | Authors: | Chen, M.Y, Su, Q, Shi, Y.G. | | Deposit date: | 2022-05-07 | | Release date: | 2022-08-17 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the human IgM B cell receptor.
Science, 377, 2022
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7X5V
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7WRI
 | | Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-06-08 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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7WRH
 | | Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Han, P, Xie, Y, Qi, J. | | Deposit date: | 2022-01-26 | | Release date: | 2023-02-01 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
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8J74
 | | Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, dimeric state | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), CHOLESTEROL HEMISUCCINATE, HEXADECANE, ... | | Authors: | Gao, Y, Qiu, Y, Zhao, Y. | | Deposit date: | 2023-04-27 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 2024
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8J77
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8J75
 | | Human high-affinity choline transporter CHT1 in the HC-3-bound outward-facing open conformation, monomeric state | | Descriptor: | (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium), High affinity choline transporter 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Gao, Y, Qiu, Y, Zhao, Y. | | Deposit date: | 2023-04-27 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Transport mechanism of presynaptic high-affinity choline uptake by CHT1.
Nat.Struct.Mol.Biol., 2024
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8J76
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8JTA
 | | Human VMAT2 complex with tetrabenazine | | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JSW
 | | Human VMAT2 complex with serotonin | | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JT9
 | | Human VMAT2 complex with ketanserin | | Descriptor: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTC
 | | Human VMAT2 complex with reserpine | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JP0
 | | structure of human sodium-calciumexchanger NCX1 | | Descriptor: | 2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline, Sodium/calcium exchanger 1 | | Authors: | Dong, Y, Zhao, Y. | | Deposit date: | 2023-06-09 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural insight into the allosteric inhibition of human sodium-calcium exchanger NCX1 by XIP and SEA0400.
Embo J., 43, 2024
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4KT1
 | | Complex of R-spondin 1 with LGR4 extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat-containing G-protein coupled receptor 4, ... | | Authors: | Wang, X.Q, Wang, D.L. | | Deposit date: | 2013-05-19 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Structural basis for R-spondin recognition by LGR4/5/6 receptors
Genes Dev., 27, 2013
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2Q12
 | | Crystal Structure of BAR domain of APPL1 | | Descriptor: | DCC-interacting protein 13 alpha | | Authors: | Zhang, X.C, Zhu, G. | | Deposit date: | 2007-05-23 | | Release date: | 2007-08-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure of the APPL1 BAR-PH domain and characterization of its interaction with Rab5.
Embo J., 26, 2007
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2Q13
 | | Crystal structure of BAR-PH domain of APPL1 | | Descriptor: | DCC-interacting protein 13 alpha | | Authors: | Zhu, G, Zhang, X.C. | | Deposit date: | 2007-05-23 | | Release date: | 2007-08-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the APPL1 BAR-PH domain and characterization of its interaction with Rab5.
Embo J., 26, 2007
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6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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3WDO
 | | Structure of E. coli YajR transporter | | Descriptor: | MFS Transporter | | Authors: | Jiang, D. | | Deposit date: | 2013-06-19 | | Release date: | 2013-08-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure of the YajR transporter suggests a transport mechanism based on the conserved motif A
Proc.Natl.Acad.Sci.USA, 110, 2013
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