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8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
Descriptor: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
7NZN
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BU of 7nzn by Molmil
Structure of RET kinase domain bound to inhibitor JB-48
Descriptor: 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Briggs, D.C, McDonald, N.Q.
Deposit date:2021-03-24
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
6O3G
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BU of 6o3g by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
Descriptor: GLYCEROL, MEPER peptide, region 671-683 of HIV-1 gp41, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.645 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
5ZX1
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BU of 5zx1 by Molmil
Crystal structure of ENT domain from T. brucei
Descriptor: ENT
Authors:Shanhui, L, Xiaoming, T, Juan, M.
Deposit date:2018-05-17
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of an ENT domain from Trypanosoma brucei.
Biochem.Biophys.Res.Commun., 505, 2018
7NLL
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BU of 7nll by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Fu2, Spike protein S1
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-02-22
Release date:2022-02-02
Last modified:2023-09-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022
7NS6
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BU of 7ns6 by Molmil
SARS-CoV-2 Spike (dimers) in complex with six Fu2 nanobodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fu2 nanobody, Spike glycoprotein,Fibritin, ...
Authors:Das, H, Hallberg, B.M.
Deposit date:2021-03-05
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:A bispecific monomeric nanobody induces spike trimer dimers and neutralizes SARS-CoV-2 in vivo.
Nat Commun, 13, 2022
5GWV
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BU of 5gwv by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with a substrate analogue
Descriptor: (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid, MoeN5,DNA-binding protein 7d
Authors:Ko, T.-P, Guo, R.-T, Chen, C.-C.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
5GWW
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BU of 5gww by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with a permethylated substrate analogue
Descriptor: MoeN5,DNA-binding protein 7d, methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate
Authors:Ko, T.-P, Guo, R.-T, Chen, C.-C.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
7DX4
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BU of 7dx4 by Molmil
The structure of FC08 Fab-hA.CE2-RBD complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Heavy chain of FC08 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2021-01-18
Release date:2021-04-21
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
7D4G
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BU of 7d4g by Molmil
A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2
Descriptor: Heavy chain of FC05 Fab, Light chain of FC05 Fab, Spike glycoprotein S1
Authors:Cao, L, Wang, X.
Deposit date:2020-09-23
Release date:2021-04-07
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
Descriptor: Nitrilase
Authors:Yuan, Y.A, Yin, B, Wang, C.
Deposit date:2014-05-09
Release date:2014-12-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQB
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BU of 7vqb by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQA
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BU of 7vqa by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate.
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQ9
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BU of 7vq9 by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate
Descriptor: 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
5YE4
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BU of 5ye4 by Molmil
Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment
Descriptor: 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ...
Authors:Matsuda, T, Ito, T, Wakamori, M, Umehara, T.
Deposit date:2017-09-15
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
8A9M
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BU of 8a9m by Molmil
Hippeastrum hybrid agglutinin, HHA, complex with beta-mannose
Descriptor: Agglutinin, PHOSPHATE ION, beta-D-mannopyranose
Authors:Rizkallah, P.J.
Deposit date:2022-06-28
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure solution of amaryllis lectin by molecular replacement with only 4% of the total diffracting matter.
Acta Crystallogr D Biol Crystallogr, 52, 1996
5YE3
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BU of 5ye3 by Molmil
Crystal structure of the complex of di-acetylated histone H4 and 2A7D9 Fab fragment
Descriptor: 2A7D9 L chain, 2A7D9 VH CH1 chain, di-acetylated histone H4
Authors:Matsuda, T, Ito, T, Wakamori, M, Umehara, T.
Deposit date:2017-09-15
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
7XH8
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BU of 7xh8 by Molmil
The structure of ZCB11 Fab against SARS-CoV-2 Omicron Spike
Descriptor: Spike glycoprotein, The heavy chain of ZCB11 antibody, The light chain of ZCB11 antibody
Authors:Hang, L, Dang, S.
Deposit date:2022-04-07
Release date:2022-06-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:A broadly neutralizing antibody protects Syrian hamsters against SARS-CoV-2 Omicron challenge.
Nat Commun, 13, 2022
7CHU
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BU of 7chu by Molmil
Geobacillus virus E2 - ORF18
Descriptor: Putative pectin lyase
Authors:Gong, Y.
Deposit date:2020-07-06
Release date:2021-04-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.008 Å)
Cite:Structural and functional characterization of the deep-sea thermophilic bacteriophage GVE2 tailspike protein.
Int.J.Biol.Macromol., 164, 2020

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