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7EX8
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BU of 7ex8 by Molmil
Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with inhibitor 27
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Replicase, ...
Authors:Kuang, W, Hu, Z, Gong, P.
Deposit date:2021-05-26
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural and Biochemical Basis for Development of Diketo Acid Inhibitors Targeting the Cap-Snatching Endonuclease of the Ebinur Lake Virus (Order: Bunyavirales ).
J.Virol., 96, 2022
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
2GPE
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BU of 2gpe by Molmil
Structure of the DNA-binding domain of E. Coli Proline Utilization A (PUTA)
Descriptor: Bifunctional protein putA, IMIDAZOLE
Authors:Jenkins, J.L, Larson, J, Tanner, J.J.
Deposit date:2006-04-17
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the DNA-binding domain of Escherichia coli proline utilization A flavoprotein and analysis of the role of Lys9 in DNA recognition.
Protein Sci., 15, 2006
3X3M
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BU of 3x3m by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
2DI3
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BU of 2di3 by Molmil
Crystal structure of the transcriptional factor CGL2915 from Corynebacterium glutamicum
Descriptor: Bacterial regulatory proteins, GntR family, ZINC ION
Authors:Gao, Y.G, Yao, M, Tanaka, I.
Deposit date:2006-03-28
Release date:2007-03-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and functional characterization of the LldR from Corynebacterium glutamicum: a transcriptional repressor involved in L-lactate and sugar utilization
Nucleic Acids Res., 36, 2008
3X3N
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BU of 3x3n by Molmil
Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21
Descriptor: CALCIUM ION, ESX-1 secretion system protein EccB1
Authors:Zhang, X.L, Li, D.F, Zhang, X.E, Bi, L.J, Wang, D.C.
Deposit date:2015-01-24
Release date:2015-12-09
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Core component EccB1 of the Mycobacterium tuberculosis type VII secretion system is a periplasmic ATPase.
Faseb J., 29, 2015
7EKI
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BU of 7eki by Molmil
human alpha 7 nicotinic acetylcholine receptor in apo-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, CHOLESTEROL, ...
Authors:Liu, S, Zhao, Y, Sun, D, Tian, C.
Deposit date:2021-04-05
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
7EKP
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BU of 7ekp by Molmil
human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ...
Authors:Liu, S, Zhao, Y, Sun, D, Tian, C.
Deposit date:2021-04-06
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
7EKT
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BU of 7ekt by Molmil
human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide, ...
Authors:Liu, S, Zhao, Y, Sun, D, Tian, C.
Deposit date:2021-04-06
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
7DMY
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BU of 7dmy by Molmil
The crystal structure of Cpd7 in complex with BPTF bromodomain
Descriptor: Nucleosome-remodeling factor subunit BPTF, tert-butyl 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-4-oxidanylidene-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
Authors:Xiong, L, Guo, Y, Yang, S.
Deposit date:2020-12-08
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
7DN4
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BU of 7dn4 by Molmil
The crystal structure of Cpd8 in complex with BPTF bromodomain
Descriptor: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one, Nucleosome-remodeling factor subunit BPTF
Authors:Xiong, L, Guo, Y, Yang, S.
Deposit date:2020-12-08
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
6I3M
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BU of 6i3m by Molmil
eIF2B:eIF2 complex, phosphorylated on eIF2 alpha serine 52.
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Adomavicius, T, Roseman, A.M, Pavitt, G.D.
Deposit date:2018-11-06
Release date:2019-05-22
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.93 Å)
Cite:The structural basis of translational control by eIF2 phosphorylation.
Nat Commun, 10, 2019
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
7CUJ
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BU of 7cuj by Molmil
Crystal structure of fission yeast Ccq1 and Tpz1
Descriptor: Coiled-coil quantitatively-enriched protein 1, Protection of telomeres protein tpz1
Authors:Sun, H, Wu, Z, Wu, J, Lei, M.
Deposit date:2020-08-23
Release date:2021-08-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into Pot1-ssDNA, Pot1-Tpz1 and Tpz1-Ccq1 Interactions within fission yeast shelterin complex.
Plos Genet., 18, 2022
7CUI
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BU of 7cui by Molmil
Crystal structure of fission yeast Pot1 and Tpz1
Descriptor: Protection of telomeres protein 1, Protection of telomeres protein tpz1, SULFATE ION
Authors:Sun, H, Wu, Z, Wu, J, Lei, M.
Deposit date:2020-08-23
Release date:2021-08-25
Last modified:2022-09-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into Pot1-ssDNA, Pot1-Tpz1 and Tpz1-Ccq1 Interactions within fission yeast shelterin complex.
Plos Genet., 18, 2022
7CUH
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BU of 7cuh by Molmil
Crystal structure of fission yeast Pot1 and ssDNA
Descriptor: Protection of telomeres protein 1, Telomere single-strand DNA
Authors:Sun, H, Wu, Z, Wu, J, Lei, M.
Deposit date:2020-08-23
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into Pot1-ssDNA, Pot1-Tpz1 and Tpz1-Ccq1 Interactions within fission yeast shelterin complex.
Plos Genet., 18, 2022
7FEE
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BU of 7fee by Molmil
Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, ...
Authors:Wang, X, Zhao, C, Shao, Z.
Deposit date:2021-07-19
Release date:2022-06-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6I7T
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BU of 6i7t by Molmil
eIF2B:eIF2 complex
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Adomavicius, T, Guaita, M, Roseman, A.M, Pavitt, G.D.
Deposit date:2018-11-17
Release date:2019-05-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.61 Å)
Cite:The structural basis of translational control by eIF2 phosphorylation.
Nat Commun, 10, 2019
6KKI
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BU of 6kki by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward-occluded conformation
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKL
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BU of 6kkl by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKK
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BU of 6kkk by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation (H115A mutant)
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-26
Release date:2020-07-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
6KKJ
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BU of 6kkj by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward open conformation
Descriptor: Sugar efflux transporter, nonyl beta-D-glucopyranoside
Authors:Xiao, Q.J, Deng, D.
Deposit date:2019-07-25
Release date:2020-07-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.385 Å)
Cite:Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
Descriptor: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
Authors:Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
Deposit date:2020-05-29
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
3ATK
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BU of 3atk by Molmil
Crystal structure of trypsin complexed with cycloheptanamine
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011

225681

数据于2024-10-02公开中

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