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7DN4
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BU of 7dn4 by Molmil
The crystal structure of Cpd8 in complex with BPTF bromodomain
分子名称: 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
著者Xiong, L, Guo, Y, Yang, S.
登録日2020-12-08
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Discovery of selective BPTF bromodomain inhibitors by screening and structure-based optimization.
Biochem.Biophys.Res.Commun., 545, 2021
7EKT
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BU of 7ekt by Molmil
human alpha 7 nicotinic acetylcholine receptor bound to EVP-6124 and PNU-120596
分子名称: 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, ...
著者Liu, S, Zhao, Y, Sun, D, Tian, C.
登録日2021-04-06
公開日2021-05-19
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
7EKI
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BU of 7eki by Molmil
human alpha 7 nicotinic acetylcholine receptor in apo-form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Liu, S, Zhao, Y, Sun, D, Tian, C.
登録日2021-04-05
公開日2021-05-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献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
分子名称: 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, ...
著者Liu, S, Zhao, Y, Sun, D, Tian, C.
登録日2021-04-06
公開日2021-05-19
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis of human alpha 7 nicotinic acetylcholine receptor activation.
Cell Res., 31, 2021
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
登録日2020-05-28
公開日2021-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
7CUJ
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BU of 7cuj by Molmil
Crystal structure of fission yeast Ccq1 and Tpz1
分子名称: Coiled-coil quantitatively-enriched protein 1, Protection of telomeres protein tpz1
著者Sun, H, Wu, Z, Wu, J, Lei, M.
登録日2020-08-23
公開日2021-08-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称: Protection of telomeres protein 1, Telomere single-strand DNA
著者Sun, H, Wu, Z, Wu, J, Lei, M.
登録日2020-08-23
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
分子名称: Protection of telomeres protein 1, Protection of telomeres protein tpz1, SULFATE ION
著者Sun, H, Wu, Z, Wu, J, Lei, M.
登録日2020-08-23
公開日2021-08-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: (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, ...
著者Wang, X, Zhao, C, Shao, Z.
登録日2021-07-19
公開日2022-06-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7C88
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BU of 7c88 by Molmil
Complex structure of JS003 and PD-L1
分子名称: JS003 Heavy chain, JS003 Light chain, Programmed cell death 1 ligand 1
著者Bi, X, Shi, R, Chai, Y, Qi, J, Yan, J, Tan, S.
登録日2020-05-29
公開日2021-04-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Identification of a hotspot on PD-L1 for pH-dependent binding by monoclonal antibodies for tumor therapy.
Signal Transduct Target Ther, 5, 2020
7XG5
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BU of 7xg5 by Molmil
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, omega-transaminase
著者Xiang, C, Wu, S.K, Weber, G, Liu, W.D, Wei, R, Bornscheuer, U.T.
登録日2022-04-03
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A growth selection system for the directed evolution of amine-forming or converting enzymes.
Nat Commun, 13, 2022
7XG6
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BU of 7xg6 by Molmil
Crystal structure of an (R)-selective omega-transaminase mutant from Aspergillus terreus with covalently bound PLP
分子名称: omega-transaminase
著者Xiang, C, Wu, S.K, Weber, G, Liu, W.D, Wei, R, Bornscheuer, U.T.
登録日2022-04-03
公開日2022-12-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A growth selection system for the directed evolution of amine-forming or converting enzymes.
Nat Commun, 13, 2022
8U7X
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BU of 8u7x by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24
分子名称: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Mou, T.C.
登録日2023-09-15
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8U7W
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BU of 8u7w by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7
分子名称: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Mou, T.C.
登録日2023-09-15
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7E27
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BU of 7e27 by Molmil
Structure of PfFNT in complex with MMV007839
分子名称: (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter
著者Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J.
登録日2021-02-04
公開日2021-08-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献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
7E26
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BU of 7e26 by Molmil
Structure of PfFNT in apo state
分子名称: Formate-nitrite transporter
著者Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J.
登録日2021-02-04
公開日2021-08-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献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
7EPC
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BU of 7epc by Molmil
Cryo-EM structure of inactive mGlu7 homodimer
分子名称: Isoform 3 of Metabotropic glutamate receptor 7
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPE
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BU of 7epe by Molmil
Crystal structure of mGlu2 bound to NAM563
分子名称: 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPA
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Cryo-EM structure of inactive mGlu2 homodimer
分子名称: Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPF
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Crystal structure of mGlu2 bound to NAM597
分子名称: (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide, FLAVIN MONONUCLEOTIDE, Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Lin, S, Han, S, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPB
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BU of 7epb by Molmil
Cryo-EM structure of LY354740-bound mGlu2 homodimer
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, Anti-RON nanobody, Metabotropic glutamate receptor 2
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7EPD
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BU of 7epd by Molmil
Cryo-EM structure of inactive mGlu2-7 heterodimer
分子名称: Isoform 3 of Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 2,Peptidylprolyl isomerase
著者Du, J, Wang, D, Fan, H, Tai, L, Lin, S, Han, S, Sun, F, Wu, B, Zhao, Q.
登録日2021-04-26
公開日2021-06-23
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Nature, 594, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTU
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Human Calcium-Sensing Receptor bound with L-Trp
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTT
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Human Calcium-Sensing Receptor bound with calcium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
登録日2021-01-06
公開日2021-03-10
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021

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