8W4T
 
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | Descriptor: | 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8HPU
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8HQ7
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8HPF
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8HPV
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8HP9
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8HPQ
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8WE3
 | | Crystal structure of human FABP4 complexed with C7 | | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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8WDX
 | | Crystal structure of human FABP4 complexed with C3 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ... | | Authors: | Xie, H, Chen, G.F, Xu, Y.C. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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7DNH
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3 | | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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8ILF
 | | The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | | Descriptor: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | | Authors: | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | | Deposit date: | 2023-03-03 | | Release date: | 2024-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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7DNK
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9 | | Descriptor: | Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (6.41 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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7DNL
 | | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4 | | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment | | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | | Deposit date: | 2020-12-09 | | Release date: | 2020-12-30 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (4.19 Å) | | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
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6AKY
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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8IXE
 | | GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXG
 | | GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXB
 | | GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXA
 | | GMPCPP-Alpha1A/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXD
 | | GMPCPP-Alpha1C/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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8IXF
 | | GMPCPP-Alpha4A/Beta2A-microtubule decorated with kinesin non-seam region | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | | Authors: | Zheng, W, Zhao, Q.Y, Diao, L, Bao, L, Cong, Y. | | Deposit date: | 2023-03-31 | | Release date: | 2023-08-16 | | Last modified: | 2023-10-25 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM of alpha-tubulin isotype-containing microtubules revealed a contracted structure of alpha 4A/ beta 2A microtubules.
Acta Biochim.Biophys.Sin., 55, 2023
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6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | Descriptor: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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7F5W
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7VVT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with a covalent inhibitor | | Descriptor: | 3C-like proteinase, N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide | | Authors: | Su, H, Nie, T, Li, M, Xu, Y. | | Deposit date: | 2021-11-08 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease.
Eur.J.Med.Chem., 231, 2022
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8H5U
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-021, ... | | Authors: | Yang, J, Lin, S, Lu, G.W. | | Deposit date: | 2022-10-13 | | Release date: | 2023-10-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
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8H5T
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