8HTR
 
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 2024
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6UIW
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6UIV
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6UIX
 | | Cryo-EM structure of human CALHM2 gap junction | | Descriptor: | Calcium homeostasis modulator protein 2 | | Authors: | Lu, W, Du, J, Choi, W. | | Deposit date: | 2019-10-01 | | Release date: | 2019-11-27 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The structures and gating mechanism of human calcium homeostasis modulator 2.
Nature, 576, 2019
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6CUD
 | | Structure of the human TRPC3 in a lipid-occupied, closed state | | Descriptor: | (2R)-3-hydroxypropane-1,2-diyl dihexanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lu, W, Du, J, Fan, C, Choi, W. | | Deposit date: | 2018-03-25 | | Release date: | 2018-05-16 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the human lipid-gated cation channel TRPC3.
Elife, 7, 2018
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3UDC
 | | Crystal structure of a membrane protein | | Descriptor: | Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel | | Authors: | Li, W, Ge, J, Yang, M. | | Deposit date: | 2011-10-28 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.355 Å) | | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
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7U8J
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7U8L
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7U8M
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1HZU
 | | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRITE REDUCTASE | | Authors: | Brown, K, Cutruzzola, F, Brunori, M, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-01-26 | | Release date: | 2001-09-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
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1HZV
 | | DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA | | Descriptor: | HEME C, HEME D, NITRIC OXIDE, ... | | Authors: | Brown, K, Tegoni, M, Cambillau, C. | | Deposit date: | 2001-01-26 | | Release date: | 2001-09-26 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
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6R48
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6R46
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7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | Descriptor: | 3C-like proteinase, boceprevir (bound form) | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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6RNW
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6RNV
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6IE2
 | | Crystal structure of methyladenine demethylase | | Descriptor: | 2-OXOGLUTARIC ACID, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | | Authors: | Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X. | | Deposit date: | 2018-09-13 | | Release date: | 2019-09-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
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6IE3
 | | Crystal structure of methyladenine demethylase | | Descriptor: | ETHANOL, MANGANESE (II) ION, Nucleic acid dioxygenase ALKBH1 | | Authors: | Tian, L.F, Tang, Q, Chen, Z.Z, Yan, X.X. | | Deposit date: | 2018-09-13 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Cell Res., 30, 2020
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3T9N
 | | Crystal structure of a membrane protein | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Small-conductance mechanosensitive channel | | Authors: | Yang, M, Zhang, X, Ge, J, Wang, J. | | Deposit date: | 2011-08-03 | | Release date: | 2012-10-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.456 Å) | | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance
Proc.Natl.Acad.Sci.USA, 109, 2012
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7BYR
 | | BD23-Fab in complex with the S ectodomain trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ... | | Authors: | Zhu, Q, Wang, G, Xiao, J. | | Deposit date: | 2020-04-24 | | Release date: | 2020-06-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020
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8EQF
 | | cryoEM structure of a broadly neutralizing anti-SARS-CoV-2 antibody STI-9167 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ... | | Authors: | Bajic, G. | | Deposit date: | 2022-10-07 | | Release date: | 2023-10-11 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | An in vitro experimental pipeline to characterize the epitope of a SARS-CoV-2 neutralizing antibody.
Mbio, 15, 2024
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7SVL
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-2 | | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9 | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7SVM
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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