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7KKZ
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BU of 7kkz by Molmil
Crystal structure of mouse anti-HIV potent neutralizing antibody M4H2K1
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Heavy chain of Fab fragment of mouse monoclonal antibody M4H2K1, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2020-10-28
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7KMD
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BU of 7kmd by Molmil
Crystal structure of a HIV-1 clade C isolate Du172.17 HR1.R4.664 Env trimer in complex with human Fabs PGT124 and 35O22
Descriptor: 124 Heavy chain, 124 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2020-11-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.39228582 Å)
Cite:Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7KLC
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BU of 7klc by Molmil
Crystal structure of M4H2K1 Fab bound to HIV-1 BG505 gp120 core and to 17b Fab
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kumar, S, Wilson, I.A.
Deposit date:2020-10-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Neutralizing Antibodies Induced by First-Generation gp41-Stabilized HIV-1 Envelope Trimers and Nanoparticles.
Mbio, 12, 2021
7FC0
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BU of 7fc0 by Molmil
Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII)
Descriptor: FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ...
Authors:Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C.
Deposit date:2021-07-13
Release date:2022-03-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7KNW
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BU of 7knw by Molmil
Crystal structure of SND1 in complex with C-26-A2
Descriptor: 5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1
Authors:Kang, Y.
Deposit date:2020-11-06
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7KNX
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BU of 7knx by Molmil
Crystal structure of SND1 in complex with C-26-A6
Descriptor: 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ...
Authors:Kang, Y.
Deposit date:2020-11-06
Release date:2021-12-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis.
Nat Cancer, 3, 2022
7CCE
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BU of 7cce by Molmil
crystal structure of Arabidopsis AIPP3 BAH domain in complex with an H3K27me3 peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bromo-adjacent homology (BAH) domain-containing protein, Histone H3.2
Authors:Yuan, J, Du, J.
Deposit date:2020-06-17
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Coupling of H3K27me3 recognition with transcriptional repression through the BAH-PHD-CPL2 complex in Arabidopsis.
Nat Commun, 11, 2020
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
3GAC
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BU of 3gac by Molmil
Structure of mif with HPP
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ...
Authors:Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
Deposit date:2009-02-17
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
3GAD
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BU of 3gad by Molmil
Structure of apomif
Descriptor: ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION
Authors:Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
Deposit date:2009-02-17
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7MCF
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BU of 7mcf by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Descriptor: 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4
Authors:Sheriff, S.
Deposit date:2021-04-02
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
7MFH
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BU of 7mfh by Molmil
Crystal structure of BIO-32546 bound mouse Autotaxin
Descriptor: (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chodaparambil, J.V.
Deposit date:2021-04-09
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546.
Acs Med.Chem.Lett., 12, 2021
7DZ9
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BU of 7dz9 by Molmil
MbnABC complex
Descriptor: FE (III) ION, MbnA, MbnB, ...
Authors:Chao, D, Dan, Z, Yijun, G, Wei, C.
Deposit date:2021-01-25
Release date:2022-03-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
Descriptor: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6TCL
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BU of 6tcl by Molmil
Photosystem I tetramer
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chen, M, Perez-Boerema, A, Li, S, Amunts, A.
Deposit date:2019-11-06
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Nat.Plants, 6, 2020
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of FC05 Fab, ...
Authors:Wang, L, Wang, X.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CN8
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BU of 7cn8 by Molmil
Cryo-EM structure of PCoV_GX spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
Authors:Wang, X, Yu, J, Zhang, S, Qiao, S, Zeng, J, Tian, L.
Deposit date:2020-07-30
Release date:2021-03-03
Last modified:2021-03-24
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021

223532

數據於2024-08-07公開中

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