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4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7XUF
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BU of 7xuf by Molmil
Cryo-EM structure of the AKT1-AtKC1 complex from Arabidopsis thaliana
分子名称: POTASSIUM ION, Potassium channel AKT1, Potassium channel KAT3
著者Yang, G.H, Lu, Y.M, Jia, Y.T, Yang, F, Zhang, Y.M, Xu, X, Li, X.M, Lei, J.L.
登録日2022-05-18
公開日2022-11-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the activity regulation of a potassium channel AKT1 from Arabidopsis.
Nat Commun, 13, 2022
3O2M
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BU of 3o2m by Molmil
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
著者Abad-Zapatero, C.
登録日2010-07-22
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8H7A
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BU of 8h7a by Molmil
Crystal structure of the dimer form KAT6A WH domain with its bound double stranded DNA
分子名称: DNA (5'-D(*GP*GP*TP*CP*CP*GP*AP*CP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*C)-3'), Histone acetyltransferase KAT6A, ...
著者Wang, Z, Cao, Y.
登録日2022-10-19
公開日2023-01-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain.
Nucleic Acids Res., 51, 2023
7KC4
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BU of 7kc4 by Molmil
Human WLS in complex with WNT8A
分子名称: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
著者Nygaard, R, Jia, Y, Kim, J, Ross, D, Parisi, G, Clarke, O.B, Virshup, D.M, Mancia, F.
登録日2020-10-05
公開日2021-01-06
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Structural Basis of WLS/Evi-Mediated Wnt Transport and Secretion.
Cell, 184, 2021
8IDN
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BU of 8idn by Molmil
Cryo-EM structure of RBD/E77-Fab complex
分子名称: E77 Fab heavy chain, E77 Fab light chain, Spike protein S1, ...
著者Lu, D.F, Zhang, Z.C.
登録日2023-02-13
公開日2023-06-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献The structure of the RBD-E77 Fab complex reveals neutralization and immune escape of SARS-CoV-2.
Acta Crystallogr D Struct Biol, 79, 2023
7X1M
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The complex structure of Omicron BA.1 RBD with BD604, S309,and S304
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ...
著者Huang, M, Xie, Y.F, Qi, J.X.
登録日2022-02-24
公開日2022-07-06
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3.
Immunity, 55, 2022
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
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, Angiotensin-converting enzyme 2, ...
著者Liu, K.F, Pan, X.Q, Li, L.J, Feng, Y, Meng, Y.M, Zhang, Y.F, Wu, L.L, Chen, Q, Zheng, A.Q, Song, C.L, Jia, Y.F, Niu, S, Qiao, C.P, Zhao, X, Ma, D.L, Ma, X.P, Tan, S.G, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2020-12-29
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
6L3G
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BU of 6l3g by Molmil
Structural Basis for DNA Unwinding at Forked dsDNA by two coordinating Pif1 helicases
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*TP*TP*TP*T)-3'), ...
著者Su, N, Bharath, S.R, Song, H.
登録日2019-10-10
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis for DNA unwinding at forked dsDNA by two coordinating Pif1 helicases.
Nat Commun, 10, 2019
5ZSU
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BU of 5zsu by Molmil
Structure of the human homo-hexameric LRRC8A channel at 4.25 Angstroms
分子名称: Volume-regulated anion channel subunit LRRC8A
著者Kasuya, G, Nakane, T, Yokoyama, T, Shirouzu, M, Ishitani, R, Nureki, O.
登録日2018-04-29
公開日2018-08-15
最終更新日2018-09-26
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Cryo-EM structures of the human volume-regulated anion channel LRRC8.
Nat. Struct. Mol. Biol., 25, 2018
7XBF
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BU of 7xbf by Molmil
The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ...
著者Hu, Y, Liu, K.F, Han, P, Qi, J.X.
登録日2022-03-21
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
7XBG
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BU of 7xbg by Molmil
The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human 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Hu, Y, Liu, K.F, Han, P, Qi, J.X.
登録日2022-03-21
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.37 Å)
主引用文献Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
7XBH
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BU of 7xbh by Molmil
The complex structure of RshSTT182/200 RBD bound to human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ...
著者Hu, Y, Liu, K.F, Han, P, Qi, J.X.
登録日2022-03-21
公開日2023-01-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs.
Embo J., 42, 2023
7Y0I
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BU of 7y0i by Molmil
Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
分子名称: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Yu, M, Zeng, L.
登録日2022-06-05
公開日2022-10-12
実験手法SOLUTION NMR
主引用文献Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
9BLG
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BU of 9blg by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with PF-07284892
分子名称: (1S)-1'-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]-1,2,4-triazin-3-yl}-1,3-dihydrospiro[indene-2,4'-piperidin]-1-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Bester, S.M, Wu, W.-I, Mou, T.-C.
登録日2024-04-30
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献SHP2 Inhibition Sensitizes Diverse Oncogene-Addicted Solid Tumors to Re-treatment with Targeted Therapy.
Cancer Discov, 13, 2023
7WX2
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BU of 7wx2 by Molmil
CBP-BrD complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, CREB-binding protein
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7WWZ
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BU of 7wwz by Molmil
BRD4-BD1 complexed with NEO2734
分子名称: 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one, Isoform C of Bromodomain-containing protein 4
著者Zeng, L, Lei, J.D.
登録日2022-02-14
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Targeting CDCP1 gene transcription coactivated by BRD4 and CBP/p300 in castration-resistant prostate cancer.
Oncogene, 41, 2022
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
分子名称: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
著者Lu, M, Tang, Y.
登録日2021-03-08
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7E0B
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BU of 7e0b by Molmil
The crystal structure of sorting nexin 27 and PBM complex
分子名称: PBM, Sorting nexin-27
著者Shang, G.J, Qi, J.X.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献SNX27 suppresses SARS-CoV-2 infection by inhibiting viral lysosome/late endosome entry.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CRQ
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BU of 7crq by Molmil
NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode)
分子名称: DNA (168-MER), Histone H2A, Histone H2B, ...
著者Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z.
登録日2020-08-14
公開日2020-10-21
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
7CRP
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NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode)
分子名称: DNA (168-MER), Histone H2A, Histone H2B, ...
著者Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z.
登録日2020-08-14
公開日2020-10-21
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
7CRR
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Native NSD3 bound to 187-bp nucleosome
分子名称: DNA (168-MER), DNA(168-MER), Histone H2A, ...
著者Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z.
登録日2020-08-14
公開日2020-10-21
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
7CRO
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BU of 7cro by Molmil
NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP
分子名称: DNA (168-MER), Histone H2A, Histone H2B, ...
著者Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z.
登録日2020-08-14
公開日2020-10-21
最終更新日2021-03-03
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021

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