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7WK0
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BU of 7wk0 by Molmil
Local refine of Omicron spike bitrimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7XUP
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BU of 7xup by Molmil
Crystal structure of TPe3.0
Descriptor: Transcriptional regulator, PadR-like family
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7WJY
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BU of 7wjy by Molmil
Omicron spike trimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7WJZ
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BU of 7wjz by Molmil
Omicron Spike bitrimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7XUQ
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BU of 7xuq by Molmil
Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
Descriptor: Transcriptional regulator, PadR-like family, dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Authors:Chen, X, Qian, J.Y, Sun, N.N, Zhong, F.R, Wu, Y.Z.
Deposit date:2022-05-19
Release date:2022-09-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enantioselective [2+2]-cycloadditions with triplet photoenzymes.
Nature, 611, 2022
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
Descriptor: (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide
Authors:Fan, S, Xu, F.
Deposit date:2021-09-08
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.385 Å)
Cite:Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
7Y8F
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BU of 7y8f by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
Authors:Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
7Y8G
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BU of 7y8g by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
Authors:Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
Deposit date:2022-06-23
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
7X1N
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BU of 7x1n by Molmil
Crystal structure of MEF2D-MRE complex
Descriptor: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein
Authors:Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G.
Deposit date:2022-02-24
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.315 Å)
Cite:Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion.
Blood, 140, 2022
7WOS
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BU of 7wos by Molmil
The state 3 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOQ
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BU of 7woq by Molmil
The state 1 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOU
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BU of 7wou by Molmil
The state 4 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOP
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BU of 7wop by Molmil
The local refined map of Omicron spike with bispecific antibody FD01
Descriptor: 16L9, GW01, Spike protein S1
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOR
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BU of 7wor by Molmil
The state 2 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOV
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BU of 7wov by Molmil
The state 5 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Sun, L, Chen, Z.G.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOW
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BU of 7wow by Molmil
The state 6 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, GW01 Fv, Spike glycoprotein
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (6.11 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7XAC
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BU of 7xac by Molmil
Dimeric structure of human galectin-7 in complex with two glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-17
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
7XBL
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BU of 7xbl by Molmil
Dimeric structure of human galectin-7 in complex with three glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
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
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022

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數據於2024-07-17公開中

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