8IJQ
 
 | | The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide | | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, Sphingomyelin synthase-related protein 1 | | Authors: | Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y. | | Deposit date: | 2023-02-27 | | Release date: | 2024-02-28 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 31, 2024
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7B92
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7B91
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8J3Z
 | | Cryo-EM structure of ATP-U46619-bound ABCC4 | | Descriptor: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, ... | | Authors: | Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q. | | Deposit date: | 2023-04-18 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
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8JJO
 | | Cryo-EM structure of the beta2AR-mBRIL/1b3 Fab/Glue complex with an antagonist | | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Beta-2 adrenergic receptor,Soluble cytochrome b562 | | Authors: | He, B.B, Zhong, Y.X, Guo, Q, Tao, Y.Y. | | Deposit date: | 2023-05-31 | | Release date: | 2023-09-06 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A method for structure determination of GPCRs in various states.
Nat.Chem.Biol., 20, 2024
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7FBS
 | | structure of a channel | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D.J, Catterall, W.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-09-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Open-state structure and pore gating mechanism of the cardiac sodium channel.
Cell, 184, 2021
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7EW3
 | | Cryo-EM structure of S1P-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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: | Zhao, C, Wang, W, Wang, H.L, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
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7D5L
 | | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | | Descriptor: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | | Authors: | Ghosh, K, Anumula, R, Kumar, A. | | Deposit date: | 2020-09-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
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8JHQ
 | | Cryo-EM structure of human S1P transporter SPNS2 bound with S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2,GlgA glycogen synthase | | Authors: | Pang, B, Yu, L.Y, Ren, R.B. | | Deposit date: | 2023-05-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular basis of Spns2-facilitated sphingosine-1-phosphate transport.
Cell Res., 34, 2024
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8IWK
 | | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state | | 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: | Sun, L, Liu, X, Ying, W, Liao, L, Wei, H. | | Deposit date: | 2023-03-30 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | ABCG25 Wild Type purified with DDM plus CHS in ABA-bound state
To Be Published
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8IZ9
 | | cryo-EM structure of PGE1-bound hMRP4 | | Descriptor: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid, ATP-binding cassette sub-family C member 4 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-04-06 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | cryo-EM structure of PGE1-bound hMRP4
To Be Published
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7D5O
 | | C-Src in complex with TAS-120 | | Descriptor: | 1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Qu, L.Z, Chen, Y.H. | | Deposit date: | 2020-09-27 | | Release date: | 2021-12-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
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7FJF
 | | Cryo-EM structure of a membrane protein(CS) | | Descriptor: | CHOLEST-5-EN-3-YL HYDROGEN SULFATE, T cell receptor alpha variable 12-3,Possible J 11 gene segment,T cell receptor alpha chain constant, T cell receptor beta variable 6-5,M1-specific T cell receptor beta chain,T cell receptor beta constant 2, ... | | Authors: | Chen, Y, Zhu, Y, Gao, W, Zhang, A, Guo, C, Huang, Z. | | Deposit date: | 2021-08-03 | | Release date: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cholesterol inhibits TCR signaling by directly restricting TCR-CD3 core tunnel motility.
Mol.Cell, 82, 2022
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7EVO
 | | The cryo-EM structure of the human 17S U2 snRNP | | Descriptor: | HIV Tat-specific factor 1, PHD finger-like domain-containing protein 5A, RNA helicase, ... | | Authors: | Zhang, X, Zhan, X, Shi, Y. | | Deposit date: | 2021-05-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural insights into branch site proofreading by human spliceosome.
Nat.Struct.Mol.Biol., 2024
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7EEB
 | | Structure of the CatSpermasome | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, J.P, Ke, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-07-28 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of a mammalian sperm cation channel complex.
Nature, 595, 2021
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7E27
 | | Structure of PfFNT in complex with MMV007839 | | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | | Deposit date: | 2021-02-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism.
Plos Biol., 19, 2021
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7DVK
 | | PyrI4 in complex with intermolecular Diels-Alder product | | Descriptor: | GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate | | Authors: | Kashyap, R, Addlagatta, A. | | Deposit date: | 2021-01-13 | | Release date: | 2021-08-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates.
Commun Chem, 2021
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7FLN
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P05F09 from the F2X-Universal Library | | Descriptor: | (5R)-2,7-diazaspiro[4.5]dec-1-en-3-one, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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7FPI
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P10C11 from the F2X-Universal Library | | Descriptor: | A1 cistron-splicing factor AAR2, N,N'-dicyclopropyl-N-(prop-2-en-1-yl)urea, Pre-mRNA-splicing factor 8 | | Authors: | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | | Deposit date: | 2022-08-26 | | Release date: | 2022-11-02 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites.
J.Med.Chem., 65, 2022
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8ETO
 | | Co-crystal structure of Chaetomium glucosidase with compound 25 | | Descriptor: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-{[(5Z)-6-{[2-nitro-4-(2H-1,2,3-triazol-2-yl)phenyl]amino}hex-5-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2022-10-17 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent Iminosugar Inhibitors of Endoplasmic Reticulum alpha-Glucosidase I with Anti-SARS-CoV-2 Activity.
J.Med.Chem., 66, 2023
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8EOI
 | | Structure of a human EMC:human Cav1.2 channel complex in GDN detergent | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L. | | Deposit date: | 2022-10-03 | | Release date: | 2023-05-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
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8EX6
 | | Human S1P transporter Spns2 in an inward-facing open conformation (state 1*) | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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8EX4
 | | Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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8FO4
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8FY7
 | | SARS-CoV-2 main protease in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | Authors: | Fried, W, Chen, X.S. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
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