7VXY
 
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with D-RKOR | | Descriptor: | Peptide inhibitor, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-11-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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7VXX
 | | Zika virus NS2B/NS3 protease bZipro(C143S) in complex with 4-amino benzamidine | | Descriptor: | P-AMINO BENZAMIDINE, Serine protease NS3, Serine protease subunit NS2B | | Authors: | Xiong, Y.C, Cheng, F, Zhang, J.Y, Su, H.X, Hu, H.C, Zou, Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-11-13 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design of a novel inhibitor of the ZIKA virus NS2B/NS3 protease.
Bioorg.Chem., 128, 2022
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7X2K
 | | 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
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7X2J
 | | 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
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7X2M
 | | 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
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7DPV
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-dihydromyricetin | | Descriptor: | (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 3C-like proteinase | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
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7DPP
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, 3C-like proteinase | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
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7DPU
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin | | Descriptor: | 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.
Nat Commun, 12, 2021
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7DJM
 | | Structure of four truncated and mutated forms of quenching protein | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, Protein SUPPRESSOR OF QUENCHING 1, ... | | Authors: | Yu, G.M, Pan, X.W, Li, M. | | Deposit date: | 2020-11-20 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.70000112 Å) | | Cite: | Structure of Arabidopsis SOQ1 lumenal region unveils C-terminal domain essential for negative regulation of photoprotective qH.
Nat.Plants, 8, 2022
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7X2L
 | | 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
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7DFX
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7CXN
 | | Architecture of a SARS-CoV-2 mini replication and transcription complex | | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | | Deposit date: | 2020-09-02 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
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7CXM
 | | Architecture of a SARS-CoV-2 mini replication and transcription complex | | Descriptor: | Helicase, Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z. | | Deposit date: | 2020-09-02 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
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7V3R
 | | Crystal structure of CMET in complex with a novel inhibitor | | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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7DNC
 | | Crystal structure of EV71 3C proteinase in complex with a novel inhibitor | | Descriptor: | 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Xie, H, Su, H.X, Li, M.J, Xu, Y.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
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7C9V
 | | E30 F-particle in complex with FcRn | | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, MYRISTIC ACID, ... | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C9W
 | | E30 F-particle in complex with CD55 | | Descriptor: | Complement decay-accelerating factor, MYRISTIC ACID, SPHINGOSINE, ... | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C9T
 | | Echovirus 30 A-particle | | Descriptor: | VP1, VP2, VP3 | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7C9U
 | | Echovirus 30 E-particle | | Descriptor: | VP0, VP1, VP3 | | Authors: | Wang, K, Zhu, L, Sun, Y, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7YIM
 | | Cryo-EM structure of human Alpha-fetoprotein | | Descriptor: | Alpha-fetoprotein | | Authors: | Liu, N, Liu, K, Wu, C, Liu, Z, Li, M, Wang, J, Wang, H.W. | | Deposit date: | 2022-07-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
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7C9S
 | | Echovirus 30 F-particle | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Wang, K, Sun, Y, Zhu, L, Li, M, Zhao, X, Cui, L, Zhang, L, Gao, G, Zhai, W, Zhu, F, Rao, Z, Wang, X. | | Deposit date: | 2020-06-07 | | Release date: | 2020-07-29 | | Last modified: | 2020-09-16 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
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7V3S
 | | Crystal structure of CMET in complex with a novel inhibitor | | Descriptor: | Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | | Authors: | Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
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5Y1B
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | | Authors: | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | | Deposit date: | 2017-07-20 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.207 Å) | | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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5Y0V
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BERBERINE, ... | | Authors: | Duan, Y.W, Liu, T, Tang, J.Y, Li, M, Yang, Q. | | Deposit date: | 2017-07-18 | | Release date: | 2018-01-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.423 Å) | | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine.
J. Biol. Chem., 293, 2018
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1M2S
 | | Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch | | Descriptor: | Toxin BmTX3 | | Authors: | Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H. | | Deposit date: | 2002-06-25 | | Release date: | 2004-04-06 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16
Proteins, 58, 2005
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