2FV5
 
 | | Crystal structure of TACE in complex with IK682 | | Descriptor: | (2R)-N-HYDROXY-2-[(3S)-3-METHYL-3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-2-OXOPYRROLIDIN-1-YL]PROPANAMIDE, ADAM 17, ZINC ION | | Authors: | Orth, P, Niu, X. | | Deposit date: | 2006-01-30 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IK682, a tight binding inhibitor of TACE.
Arch.Biochem.Biophys., 451, 2006
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2N00
 | | NMR Solution structure of AIM2 PYD from Mus musculus | | Descriptor: | Interferon-inducible protein AIM2 | | Authors: | Hou, X, Niu, X. | | Deposit date: | 2015-03-01 | | Release date: | 2015-05-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The NMR solution structure of AIM2 PYD domain from Mus musculus reveals a distinct alpha 2-alpha 3 helix conformation from its human homologues
Biochem.Biophys.Res.Commun., 461, 2015
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3EDZ
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | Descriptor: | ADAM 17, CITRIC ACID, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Mazzola, R.D, Zhu, Z, Sinning, L, McKittrick, B, Lavey, B, Spitler, J, Kozlowski, J, Neng-Yang, S, Zhou, G, Guo, Z, Orth, P, Madison, V, Sun, J, Lundell, D, Niu, X. | | Deposit date: | 2008-09-03 | | Release date: | 2008-09-23 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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7EES
 | | NMR structure of the lasso peptide rubrivimycin | | Descriptor: | GLY-THR-ILE-ASP-PRO-GLN-ASN-SER-GLU-GLU-HIS-PRO-VAL-LEU-SER-ARG-ARG-LEU-GLU-ASN | | Authors: | Xiu, H, Niu, X, Zhu, S. | | Deposit date: | 2021-03-19 | | Release date: | 2022-03-23 | | Last modified: | 2024-10-09 | | Method: | SOLUTION NMR | | Cite: | Insight into the biosynthesis of rubrivimycin provides new clue for the evolution of lasso peptides
To Be Published
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3M10
 | | Substrate-free form of Arginine Kinase | | Descriptor: | Arginine kinase, SULFATE ION | | Authors: | Yousef, M.S, Clark, S.A, Pruett, P.K, Somasundaram, T, Ellington, W.R, Chapman, M.S. | | Deposit date: | 2010-03-03 | | Release date: | 2010-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | Arginine kinase: joint crystallographic and NMR RDC analyses link substrate-associated motions to intrinsic flexibility.
J.Mol.Biol., 405, 2011
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8ZC5
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC3
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.69 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC0
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC2
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (7.82 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZBY
 | | SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZBZ
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.71 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC4
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC6
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.85 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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3KME
 | | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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2AIN
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8ZHE
 | | SARS-CoV-2 spike trimer (6P) in complex with three R1-26 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHP
 | | Dimer of SARS-CoV-2 S1 in complex with H18 and R1-32 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHF
 | | SARS-CoV-2 spike trimer (6P) in complex with R1-26 Fab, head-to-head aggregate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (5.26 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHH
 | | SARS-CoV-2 spike trimer (6P) in complex with two H18 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (5.55 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHL
 | | SARS-CoV-2 spike trimer (6P) in complex with two H18 and two R1-32 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHK
 | | SARS-CoV-2 spike trimer (6P) in complex with three H18 Fabs, head-to-head aggregate (C3 symmetry) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHN
 | | SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs (one RBD rotated) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.12 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHM
 | | SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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8ZHO
 | | SARS-CoV-2 S1 in complex with H18 and R1-32 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ... | | Authors: | Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X. | | Deposit date: | 2024-05-11 | | Release date: | 2024-08-21 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein and potentially drive the genesis of Omicron variants.
Nat Commun, 15, 2024
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