8J2F
 
 | | Human neutral shpingomyelinase | | Descriptor: | HEPTANE, MAGNESIUM ION, Sphingomyelin phosphodiesterase 2, ... | | Authors: | Zhang, S.S. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | Molecular basis for the catalytic mechanism of human neutral sphingomyelinases 1 (hSMPD2)
Nat Commun, 14, 2023
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8JUB
 | | Crystal structure of glutaminase C in complex with compound 27 | | Descriptor: | 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial | | Authors: | Wang, X, Hanyu, S, Tingting, D. | | Deposit date: | 2023-06-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8JUE
 | | Crystal structure of glutaminase C in complex with compound 11 | | Descriptor: | 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial | | Authors: | Wang, X, Hanyu, S, Tingting, D. | | Deposit date: | 2023-06-26 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8Q71
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | | Deposit date: | 2023-08-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.322 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
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4M83
 | | Ensemble refinement of protein crystal structure (2IYF) of macrolide glycosyltransferases OleD complexed with UDP and Erythromycin A | | Descriptor: | ERYTHROMYCIN A, MAGNESIUM ION, Oleandomycin glycosyltransferase, ... | | Authors: | Wang, F, Helmich, K.E, Xu, W, Singh, S, Olmos Jr, J.L, Martinez iii, E, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2013-08-12 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Crystal structure of macrolide glycosyltransferases OleD
To be Published
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1HCF
 | | Crystal structure of TrkB-d5 bound to neurotrophin-4/5 | | Descriptor: | BDNF/NT-3 GROWTH FACTORS RECEPTOR, NEUROTROPHIN-4, SULFATE ION | | Authors: | Banfield, M.J, Naylor, R.L, Robertson, A.G.S, Allen, S.J, Dawbarn, D, Brady, R.L. | | Deposit date: | 2001-05-03 | | Release date: | 2001-12-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Specificity in Trk-Receptor:Neurotrophin Interaction: The Crystal Structure of Trkb-D5 in Complex with Neurotrophin-4/5
Structure, 9, 2001
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5Y20
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5Y4O
 | | Cryo-EM structure of MscS channel, YnaI | | Descriptor: | Low conductance mechanosensitive channel YnaI | | Authors: | Zhang, Y, Yu, J. | | Deposit date: | 2017-08-04 | | Release date: | 2019-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | A binding-block ion selective mechanism revealed by a Na/K selective channel.
Protein Cell, 9, 2018
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5YC4
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5YC3
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7CR5
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7EKG
 | | Structure of SARS-CoV-2 Beta variant spike receptor-binding domain complexed with human 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, Angiotensin-converting enzyme 2, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKE
 | | Structure of SARS-CoV-2 spike receptor-binding domain F486L mutation complexed with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKC
 | | Structure of SARS-CoV-2 Gamma variant spike receptor-binding domain complexed with human 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, Angiotensin-converting enzyme 2, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKH
 | | Structure of SARS-CoV-2 spike receptor-binding domain Y453F mutation complexed with human ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7EKF
 | | Structure of SARS-CoV-2 Alpha variant spike receptor-binding domain complexed with human 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, Angiotensin-converting enzyme 2, ... | | Authors: | Han, P.C, Su, C, Zhang, Y.F, Qi, J.X, Gao, G.F. | | Deposit date: | 2021-04-05 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Molecular insights into receptor binding of recent emerging SARS-CoV-2 variants.
Nat Commun, 12, 2021
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7E9T
 | | Nanometer resolution in situ structure of SARS-CoV-2 post-fusion spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2, ... | | Authors: | Zhu, Y, Tai, L, Zhu, G, Yin, G, Sun, F. | | Deposit date: | 2021-03-05 | | Release date: | 2021-11-17 | | Last modified: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (10.9 Å) | | Cite: | Nanometer-resolution in situ structure of the SARS-CoV-2 postfusion spike protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6BOJ
 | | Crystal Structure of the PDE4D Catalytic Domain and UCR2 Regulatory Helix with BPN5004 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-{[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide, CHLORIDE ION, ... | | Authors: | Fox III, D, Fairman, J.W, Gurney, M.E. | | Deposit date: | 2017-11-20 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Memory enhancing effects of BPN14770, an allosteric inhibitor of phosphodiesterase-4D, in wild-type and humanized mice.
Neuropsychopharmacology, 43, 2018
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7WMX
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7WMZ
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7WMY
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7WMW
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6JDS
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6J9O
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6JDU
 | | Crystal structure of PRRSV nsp10 (helicase) | | Descriptor: | CALCIUM ION, PP1b, ZINC ION | | Authors: | Tang, C, Chen, Z. | | Deposit date: | 2019-02-02 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
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