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7V7H
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BU of 7v7h by Molmil
Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 1
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 glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
Deposit date:2021-08-21
Release date:2021-10-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 1
To Be Published
7V7J
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BU of 7v7j by Molmil
Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 3
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 glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
Deposit date:2021-08-21
Release date:2021-10-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 3
To Be Published
5WJL
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BU of 5wjl by Molmil
Crystal Structure of HLA-A*11:01 with GTS1 peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GTS1 peptide, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-23
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Germline bias dictates cross-serotype reactivity in a common dengue-virus-specific CD8(+) T cell response.
Nat. Immunol., 18, 2017
7V89
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BU of 7v89 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
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,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
Deposit date:2021-08-22
Release date:2021-10-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1
To Be Published
5WMQ
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BU of 5wmq by Molmil
Crystal Structure of HLA-B8 in complex with ELR, an Influenza A virus peptide
Descriptor: Beta-2-microglobulin, ELR peptide from IAV, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-31
Release date:2018-06-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
5WBO
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BU of 5wbo by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
Descriptor: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ...
Authors:Pandit, J.
Deposit date:2017-06-29
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
7V88
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BU of 7v88 by Molmil
Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form
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,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
Deposit date:2021-08-22
Release date:2021-10-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form
To Be Published
7V7I
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BU of 7v7i by Molmil
Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 2
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 glycoprotein, ...
Authors:Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D.
Deposit date:2021-08-21
Release date:2021-10-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1), dimer of S trimer conformation 2
To Be Published
5WRE
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BU of 5wre by Molmil
Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01)
Descriptor: (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Zhou, Z, Xu, Z.H.
Deposit date:2016-12-01
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.946 Å)
Cite:Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
7VSY
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BU of 7vsy by Molmil
Pim1 with N82K mutation
Descriptor: Serine/threonine-protein kinase pim-1
Authors:Hsu, C.Y, Tzeng, S.R.
Deposit date:2021-10-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Pim1 with N82K mutation
To Be Published
5WMN
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BU of 5wmn by Molmil
Crystal Structure of HLA-B7 in complex with SPI, an influenza peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-07-30
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Inability To Detect Cross-Reactive Memory T Cells Challenges the Frequency of Heterologous Immunity among Common Viruses.
J. Immunol., 200, 2018
7WAN
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BU of 7wan by Molmil
Crystal structure of HaloTag complexed with UL2
Descriptor: (R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol, CHLORIDE ION, Haloalkane dehalogenase
Authors:Pratyush, M, Kang, M, Lee, H, Lee, C, Rhee, H.
Deposit date:2021-12-14
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.284 Å)
Cite:A chemical tool for blue light-inducible proximity photo-crosslinking in live cells.
Chem Sci, 13, 2022
5WF6
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BU of 5wf6 by Molmil
Agonist bound human A2a adenosine receptor with S91A mutation at 2.90 A resolution
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, Human A2a adenosine receptor T4L chimera
Authors:White, K.L, Eddy, M.T, Gao, Z, Han, G.W, Hanson, M.A, Lian, T, Deary, A, Patel, N, Jacobson, K.A, Katritch, V, Stevens, R.C.
Deposit date:2017-07-11
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Connection between Activation Microswitch and Allosteric Sodium Site in GPCR Signaling.
Structure, 26, 2018
7W2E
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BU of 7w2e by Molmil
An open-like conformation of the sigma-1 receptor from Xenopus laevis
Descriptor: Sigma non-opioid intracellular receptor 1
Authors:Meng, F, Sun, Z, Zhou, X.
Deposit date:2021-11-23
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.557 Å)
Cite:An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway.
Nat Commun, 13, 2022
7YG5
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BU of 7yg5 by Molmil
Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the topiramate-bound state
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Gao, Y, Zhao, Y.
Deposit date:2022-07-11
Release date:2023-11-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the allosteric effects of the antiepileptic drug topiramate on the Ca V 2.3 channel.
Biochem.Biophys.Res.Commun., 725, 2024
5WCT
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BU of 5wct by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6c (SRI-29775)
Descriptor: 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kumar, G, White, S.W.
Deposit date:2017-07-01
Release date:2018-01-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
7Z8O
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BU of 7z8o by Molmil
Crystal structure of SARS-CoV-2 S RBD in complex with a stapled peptide
Descriptor: 2,4,6-tris(chloromethyl)-1,3,5-triazine, GLYCEROL, Spike protein S1, ...
Authors:Brear, P, Chen, L, Gaynor, K, Harman, M, Dods, R, Hyvonen, M.
Deposit date:2022-03-18
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Multivalent bicyclic peptides are an effective antiviral modality that can potently inhibit SARS-CoV-2.
Nat Commun, 14, 2023
5WY1
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BU of 5wy1 by Molmil
Crystal structure of mouse DNA methyltransferase 1 (T1505A mutant)
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Kanada, K, Takeshita, K, Suetake, I, Tajima, S, Nakagawa, A.
Deposit date:2017-01-10
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Conserved threonine 1505 in the catalytic domain stabilizes mouse DNA methyltransferase 1
J. Biochem., 162, 2017
5WLB
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BU of 5wlb by Molmil
KRas G12V, bound to GppNHp and miniprotein 225-15a/b
Descriptor: 225-15 a, 225-15 b, GTPase KRas, ...
Authors:Shim, S.Y, McGee, J.H, Lee, S.-J, Verdine, G.L.
Deposit date:2017-07-26
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Exceptionally high-affinity Ras binders that remodel its effector domain.
J. Biol. Chem., 293, 2018
7Z8U
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BU of 7z8u by Molmil
Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Alphey, M.S, Fisher, G, da Silva, R.G.
Deposit date:2022-03-18
Release date:2022-03-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation.
Nat Commun, 13, 2022
5WRL
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BU of 5wrl by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y628 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.095 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
7Z0F
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BU of 7z0f by Molmil
CPAP:S-TUBULIN:IIH5 ALPHAREP COMPLEX
Descriptor: Centromere protein J, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gigant, B, Campanacci, V.
Deposit date:2022-02-22
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
7YXI
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BU of 7yxi by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalylglycine (NOG)
Descriptor: 1,2-ETHANEDIOL, GH14974p, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXH
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BU of 7yxh by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and succinate
Descriptor: 1,2-ETHANEDIOL, GH14974p, MAGNESIUM ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
7YXL
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BU of 7yxl by Molmil
Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-phenylalanine (NOFD)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GH14974p, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2022-02-16
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022

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数据于2024-08-28公开中

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