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4XI3
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with Bazedoxifene
分子名称: Bazedoxifene, Estrogen receptor
著者Fanning, S.W, Mayne, C.G, Toy, W, Carlson, K, Greene, B, Nowak, J, Walter, R, Panchamukhi, S, Tajhorshid, E, Nettles, K.W, Chandarlapaty, S, Katzenellenbogen, J, Greene, G.L.
登録日2015-01-06
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.
Elife, 7, 2018
6LMK
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BU of 6lmk by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gs
分子名称: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A, Han, S, Tai, L, Sun, F, Zhao, Q, Wu, B.
登録日2019-12-26
公開日2020-04-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
6LML
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BU of 6lml by Molmil
Cryo-EM structure of the human glucagon receptor in complex with Gi1
分子名称: Glucagon, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Qiao, A, Han, S, Li, X, Sun, F, Zhao, Q, Wu, B.
登録日2019-12-26
公開日2020-04-01
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural basis of Gsand Girecognition by the human glucagon receptor.
Science, 367, 2020
6MNY
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BU of 6mny by Molmil
Crystal structure of mouse BTK kinase domain in complex with compound 9a
分子名称: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
著者Han, S, Caspers, N, Ohren, J.O.
登録日2018-10-03
公開日2019-01-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019
4QRS
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BU of 4qrs by Molmil
Crystal Structure of HLA B*0801 in complex with ELK_IYM, ELKRKMIYM
分子名称: ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Gras, S, Twist, K.-A, Rossjohn, J.
登録日2014-07-02
公開日2014-12-10
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire.
Sci Rep, 4, 2014
7WSH
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BU of 7wsh by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain in complex with sea lion ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WSG
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Cryo-EM structure of SARS-CoV spike receptor-binding domain in complex with sea lion ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
6PSJ
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BU of 6psj by Molmil
Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain
分子名称: Bazedoxifene, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2019-07-12
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
7SNQ
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BU of 7snq by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
分子名称: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Nat Commun, 13, 2022
7SNL
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Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
To Be Published
7SNN
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BU of 7snn by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-10-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor N-(1-(3-(4-chloro-1-methyl-3-(methylsulfonamido)-1H-indazol-7-yl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(difluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
To Be Published
7WSE
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BU of 7wse by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor minke whale ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P.
登録日2022-01-29
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WSF
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BU of 7wsf by Molmil
Cryo-EM structure of SARS-CoV spike receptor-binding domain in complex with minke whale ACE2
分子名称: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
著者Li, S, Han, P, Qi, J.
登録日2022-01-29
公開日2022-10-19
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7WRH
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BU of 7wrh by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2
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, Processed angiotensin-converting enzyme 2, ...
著者Han, P, Xie, Y, Qi, J.
登録日2022-01-26
公開日2023-02-01
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
5ZBH
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BU of 5zbh by Molmil
The Crystal Structure of Human Neuropeptide Y Y1 Receptor with BMS-193885
分子名称: Neuropeptide Y receptor type 1,T4 Lysozyme,Neuropeptide Y receptor type 1, dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
著者Yang, Z, Han, S, Zhao, Q, Wu, B.
登録日2018-02-11
公開日2018-04-25
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
7WRI
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BU of 7wri by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with mouse ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ...
著者Han, P, Xie, Y, Qi, J.
登録日2022-01-26
公開日2022-06-08
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
7WSK
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BU of 7wsk by Molmil
Crystal structure of SARS-CoV-2 Omicron spike receptor-binding domain in complex with civet ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Huang, B, Han, P, Qi, J.
登録日2022-01-29
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Broader-species receptor binding and structural bases of Omicron SARS-CoV-2 to both mouse and palm-civet ACE2s.
Cell Discov, 8, 2022
5ZBQ
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BU of 5zbq by Molmil
The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299
分子名称: Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide
著者Yang, Z, Han, S, Zhao, Q, Wu, B.
登録日2018-02-12
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of ligand binding modes at the neuropeptide Y Y1receptor
Nature, 556, 2018
5HSI
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BU of 5hsi by Molmil
Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution
分子名称: MAGNESIUM ION, Putative decarboxylase
著者Ni, Y, Zhou, J, Zhu, H, Zhang, K.
登録日2016-01-25
公開日2016-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.732 Å)
主引用文献Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
7DWB
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BU of 7dwb by Molmil
Human Pannexin1 model
分子名称: Pannexin-1
著者Zhang, S.S, Yang, M.J.
登録日2021-01-17
公開日2021-05-26
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis.
Cell Discov, 7, 2021
7Y3N
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BU of 7y3n by Molmil
Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ...
著者Rao, X, Chai, Y, Wu, Y, Gao, F.
登録日2022-06-11
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
7Y3O
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BU of 7y3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ...
著者Rao, X, Gao, F, Wu, Y, Gao, F.
登録日2022-06-11
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
6V8T
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BU of 6v8t by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102
分子名称: Estrogen receptor, LSZ102
著者Fanning, S.W, Greene, G.L.
登録日2019-12-12
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
6VPF
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Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
分子名称: Clomifene, Estrogen receptor
著者Fanning, S.W, Greene, G.L.
登録日2020-02-03
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
4S1G
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Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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