8SQU
 
 | | Monomeric MapSPARTA bound with guide RNA and target DNA hybrid | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2023-05-04 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (3.28 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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8GXG
 | | The crystal structure of SARS-CoV-2 main protease in complex with 14a | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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8GXH
 | | The crystal structure of SARS-CoV-2 main protease in complex with 14b | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide | | Authors: | Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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5VAG
 | | Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ... | | Authors: | Song, H, Ying, T, Ji, X. | | Deposit date: | 2017-03-26 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
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8FEX
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8FFI
 | | Structure of tetramerized MapSPARTA upon guide RNA-mediated target DNA binding | | Descriptor: | MAGNESIUM ION, TIR-APAZ, guide RNA, ... | | Authors: | Shen, Z.F, Yang, X.Y, Fu, T.M. | | Deposit date: | 2022-12-08 | | Release date: | 2023-08-23 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Oligomerization-mediated activation of a short prokaryotic Argonaute.
Nature, 621, 2023
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9INR
 | | Crystal structure of PIN1 in complex with inhibitor C3 | | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION, ... | | Authors: | Zhang, L.J, Zhang, L.Y. | | Deposit date: | 2024-07-08 | | Release date: | 2024-09-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Re-Evaluating PIN1 as a Therapeutic Target in Oncology Using Neutral Inhibitors and PROTACs.
J.Med.Chem., 67, 2024
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8I7S
 | | The crystal structure of human abl1 kinase domain in complex with ABL1-B1 | | Descriptor: | 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | | Authors: | Zhu, C, Zhang, Z. | | Deposit date: | 2023-02-02 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94635463 Å) | | Cite: | Rationally designed BCR-ABL kinase inhibitors for improved leukemia treatment via covalent and pro-/dual-drug targeting strategies.
J Adv Res, 2024
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8I7Z
 | | The crystal structure of human abl1 kinase domain in complex with ABL1-B5 | | Descriptor: | 5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide, BETA-ALANINE, Tyrosine-protein kinase ABL1 | | Authors: | Zhu, C, Zhang, Z. | | Deposit date: | 2023-02-02 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25495815 Å) | | Cite: | Rationally designed BCR-ABL kinase inhibitors for improved leukemia treatment via covalent and pro-/dual-drug targeting strategies.
J Adv Res, 2024
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8I7T
 | | The crystal structure of human abl1 kinase domain in complex with ABL1-B4 | | Descriptor: | Tyrosine-protein kinase ABL1, [3-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxy-phenyl] ethanesulfonate | | Authors: | Zhu, C, Zhang, Z. | | Deposit date: | 2023-02-02 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.80004954 Å) | | Cite: | Rationally designed BCR-ABL kinase inhibitors for improved leukemia treatment via covalent and pro-/dual-drug targeting strategies.
J Adv Res, 2024
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7W33
 | | The crystal structure of human CtsL in complex with 14a | | Descriptor: | N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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7W34
 | | The crystal structure of human CtsL in complex with 14b | | Descriptor: | N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L | | Authors: | Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z. | | Deposit date: | 2021-11-25 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
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7VMZ
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7VNG
 | | Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ... | | Authors: | Xiang, J.C, Zhao, W.W, Yang, B. | | Deposit date: | 2021-10-11 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein.
Commun Biol, 5, 2022
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7VN9
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8E6V
 | | MHR1/2 and NUDT9H of human TRPM2 in 1 mM dADPR (local refinement) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2, ZINC ION | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6U
 | | Human TRPM2 ion channel in 1 mM F-dADPR | | Descriptor: | Transient receptor potential cation channel subfamily M member 2, [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6Q
 | | Human TRPM2 ion channel in 1 mM ADPR | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2 | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6R
 | | Human TRPM2 ion channel in 1 mM dADPR | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6T
 | | Human TRPM2 ion channel in 1 mM BR-ADPR | | Descriptor: | (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), Transient receptor potential cation channel subfamily M member 2 | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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8E6S
 | | Human TRPM2 ion channel in 1 mM dADPR and Ca2+ | | Descriptor: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, CALCIUM ION, ... | | Authors: | Wang, L, Fu, T.M, Xia, S, Wu, H. | | Deposit date: | 2022-08-23 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | A unified mechanism for human TRPM2 activation, desensitization and inhibition
To Be Published
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3NCI
 | | RB69 DNA Polymerase Ternary Complex with dCTP Opposite dG at 1.8 angstrom resolution | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*(DOC))-3'), ... | | Authors: | Wang, M, Blaha, G, Steitz, T.A, Konigsberg, W.H, Wang, J. | | Deposit date: | 2010-06-04 | | Release date: | 2011-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Insights into base selectivity from the 1.8 A resolution structure of an RB69 DNA polymerase ternary complex.
Biochemistry, 50, 2011
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7Y7J
 | | SARS-CoV-2 S trimer in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7Y7K
 | | SARS-CoV-2 RBD in complex with 1F Fab | | Descriptor: | 1F VH, 1F VL, Spike protein S1 | | Authors: | Zhao, S, Liu, F, Yang, X, Zhong, G. | | Deposit date: | 2022-06-22 | | Release date: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
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7C7F
 | | Crystal structures of AKR1C3 binary complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | | Authors: | Irie, K, Toyooka, N, Endo, S. | | Deposit date: | 2020-05-25 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
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