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7EFP
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BU of 7efp by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Lu, G.W, Ye, F, Lin, X.
Deposit date:2021-03-22
Release date:2021-11-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
5E7R
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BU of 5e7r by Molmil
Crystal structure of TL10-81 bound to TAK1-TAB1
Descriptor: 2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide, TAK1 kinase - TAB1 chimera fusion protein
Authors:Gurbani, D, Hunter, J.C, Tan, L, Chen, Z, Westover, K.D.
Deposit date:2015-10-13
Release date:2016-09-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
7CBY
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BU of 7cby by Molmil
Structure of FOXG1 DNA binding domain bound to DBE2 DNA site
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*AP*AP*AP*TP*GP*TP*AP*AP*AP*CP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*TP*GP*TP*TP*TP*AP*CP*AP*TP*TP*TP*TP*G)-3'), ...
Authors:Dai, S.Y, Li, J, Chen, Y.H.
Deposit date:2020-06-15
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.646 Å)
Cite:Structural Basis for DNA Recognition by FOXG1 and the Characterization of Disease-causing FOXG1 Mutations.
J.Mol.Biol., 432, 2020
7D57
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BU of 7d57 by Molmil
C-Src in complex with FIIN-2
Descriptor: N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2020-09-25
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors
Commun Chem, 5, 2022
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
Descriptor: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
Authors:Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7DIY
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BU of 7diy by Molmil
Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain
Descriptor: MAGNESIUM ION, ZINC ION, nsp10 protein, ...
Authors:Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W.
Deposit date:2020-11-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
3OX7
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BU of 3ox7 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH027 at pH4.6
Descriptor: MH027, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Jiang, L.G, Andreasen, P.A, Huang, M.D.
Deposit date:2010-09-21
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
3OOI
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BU of 3ooi by Molmil
Crystal Structure of Human Histone-Lysine N-methyltransferase NSD1 SET domain in Complex with S-adenosyl-L-methionine
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ...
Authors:Qiao, Q, Wang, M, Xu, R.M.
Deposit date:2010-08-31
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of NSD1 reveals an autoregulatory mechanism underlying histone H3K36 methylation
J.Biol.Chem., 286, 2010
3ROP
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BU of 3rop by Molmil
Crystal structure of human CD38 in complex with compound CZ-50b
Descriptor: 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose, ADP-ribosyl cyclase 1, NICOTINAMIDE
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROK
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BU of 3rok by Molmil
Crystal structure of human CD38 in complex with compound CZ-27
Descriptor: 5-O-[(S)-butoxy(hydroxy)phosphoryl]-2-deoxy-2-fluoro-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROQ
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BU of 3roq by Molmil
Crystal structure of human CD38 in complex with compound CZ-46
Descriptor: (2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate, ADP-ribosyl cyclase 1
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
3ROM
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BU of 3rom by Molmil
Crystal structure of human CD38 in complex with compound CZ-48
Descriptor: 2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose, ADP-ribosyl cyclase 1
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2011-04-26
Release date:2011-12-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Catalysis-based inhibitors of the calcium signaling function of CD38.
Biochemistry, 51, 2012
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
Descriptor: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
Authors:Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
Deposit date:2020-05-07
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
3OFS
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BU of 3ofs by Molmil
Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography
Descriptor: ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Authors:Zhang, H, Lee, H.C, Hao, Q.
Deposit date:2010-08-16
Release date:2010-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dynamic Conformations of the CD38-Mediated NAD Cyclization Captured in a Single Crystal
J.Mol.Biol., 405, 2011
3OF6
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BU of 3of6 by Molmil
Human pre-T cell receptor crystal structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pre T-cell antigen receptor alpha, T cell receptor beta chain
Authors:Pang, S.S.
Deposit date:2010-08-13
Release date:2010-10-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structural basis for autonomous dimerization of the pre-T-cell antigen receptor
Nature, 467, 2010
3OY6
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BU of 3oy6 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH036 at pH4.6
Descriptor: MH036, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Andreasen, P.A, Huang, M.D.
Deposit date:2010-09-22
Release date:2011-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
3OY5
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BU of 3oy5 by Molmil
The crystal structure of uPA complex with peptide inhibitor MH027 at pH7.4
Descriptor: MH027, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Andreasen, P.A, Huang, M.D.
Deposit date:2010-09-22
Release date:2011-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The binding mechanism of a peptidic cyclic serine protease inhibitor
J.Mol.Biol., 412, 2011
3SKO
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BU of 3sko by Molmil
Crystal structure of the HLA-B8-A66-FLR, mutant A66 of the HLA B8
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3SKM
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BU of 3skm by Molmil
Crystal structure of the HLA-B8FLRGRAYVL, mutant G8V of the FLR peptide
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
7DRB
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BU of 7drb by Molmil
Crystal structure of plant receptor like protein RXEG1 with xyloglucanase XEG1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell 12A endoglucanase, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2020-12-27
Release date:2022-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7DRC
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BU of 7drc by Molmil
Cryo-EM structure of plant receptor like protein RXEG1 in complex with xyloglucanase XEG1 and BAK1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinosteroid insensitive 1-associated receptor kinase 1, ...
Authors:Sun, Y, Wang, Y, Zhang, X.X, Chen, Z.D, Xia, Y.Q, Sun, Y.J, Zhang, M.M, Xiao, Y, Han, Z.F, Wang, Y.C, Chai, J.J.
Deposit date:2020-12-27
Release date:2022-06-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Plant receptor-like protein activation by a microbial glycoside hydrolase.
Nature, 610, 2022
7EPU
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BU of 7epu by Molmil
Crystal structure of HsALC1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromodomain-helicase-DNA-binding protein 1-like, MAGNESIUM ION, ...
Authors:Wang, L, Chen, K.J.
Deposit date:2021-04-27
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis of ALC1/CHD1L autoinhibition and the mechanism of activation by the nucleosome.
Nat Commun, 12, 2021
7DRV
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BU of 7drv by Molmil
Structural basis of SARS-CoV-2-closely-related bat coronavirus RaTG13 to hACE2
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, ...
Authors: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.
Deposit date:2020-12-29
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Binding and molecular basis of the bat coronavirus RaTG13 virus to ACE2 in humans and other species.
Cell, 184, 2021
7F24
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BU of 7f24 by Molmil
Cryo-EM structure of the GTP-bound dopamine receptor 1 and mini-Gs complex without Nb35
Descriptor: D(1A) dopamine receptor, GUANOSINE-5'-TRIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-10
Release date:2022-06-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022
7F0T
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BU of 7f0t by Molmil
Cryo-EM structure of dopamine receptor 1 and mini-Gs complex with dopamine bound
Descriptor: D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xiao, T, Zheng, S.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into G protein activation by D1 dopamine receptor.
Sci Adv, 8, 2022

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數據於2024-10-30公開中

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