1TV0
 
 | | Solution structure of cryptdin-4, the most potent alpha-defensin from mouse Paneth cells | | Descriptor: | Cryptdin-4 | | Authors: | Jing, W, Hunter, H.N, Tanabe, H, Ouellette, A.J, Vogel, H.J. | | Deposit date: | 2004-06-25 | | Release date: | 2005-01-04 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Cryptdin-4, a Mouse Paneth Cell alpha-Defensin.
Biochemistry, 43, 2004
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2RTU
 | | Solution structure of oxidized human HMGB1 A box | | Descriptor: | High mobility group protein B1 | | Authors: | Jing, W, Tochio, N, Tate, S. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-05 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA.
Biochem.Biophys.Res.Commun., 441, 2013
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2RUQ
 | | solution structure of human Pin1 PPIase mutant C113A | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Jing, W, Tochio, N, Tate, S. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
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2RUR
 | | Solution structure of Human Pin1 PPIase C113S mutant | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Jing, W, Tochio, N, Tate, S. | | Deposit date: | 2015-01-20 | | Release date: | 2016-01-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Allosteric Breakage of the Hydrogen Bond within the Dual-Histidine Motif in the Active Site of Human Pin1 PPIase
Biochemistry, 54, 2015
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9MS2
 | | Crystal structure of human CYP3A5 in complex with SJYHJ-111 | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A5, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9MS1
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-111 | | Descriptor: | Cytochrome P450 3A4, N'-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2025-01-09 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BVB
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-075 | | Descriptor: | 2-(2-chlorophenyl)-N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BVA
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-106 | | Descriptor: | Cytochrome P450 3A4, N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BV8
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-114 | | Descriptor: | Cytochrome P450 3A4, N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BVC
 | | Crystal structure of human CYP3A4 in complex with SJYHJ-110 | | Descriptor: | Cytochrome P450 3A4, N-(2-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BV9
 | | Crystal structure of human CYP3A4 in complex with Z56791366 | | Descriptor: | Cytochrome P450 3A4, N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BV5
 | | Crystal structure of human CYP3A4 in complex with SJ000362065 | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 3A4, N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide, ... | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BV7
 | | Crystal structure of human CYP3A4 in complex with SJ000310315 | | Descriptor: | 3-(2-chlorophenyl)-N-{[(2S,7M)-7-(pyridin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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9BV6
 | | Crystal structure of human CYP3A4 in complex with SJ000388260 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole, Cytochrome P450 3A4, ... | | Authors: | Jingheng, W, Nithianantham, S, Miller, D.J, Chen, T. | | Deposit date: | 2024-05-20 | | Release date: | 2025-04-16 | | Last modified: | 2025-04-23 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Decoding the selective chemical modulation of CYP3A4.
Nat Commun, 16, 2025
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8ZBC
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2JNR
 | | Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide | | Descriptor: | ENV polyprotein, VIR165 | | Authors: | Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F. | | Deposit date: | 2007-02-01 | | Release date: | 2007-05-08 | | Last modified: | 2024-11-20 | | Method: | SOLUTION NMR | | Cite: | Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
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9BCR
 | | Cryo-EM structure of a bacterial prototype ATP-binding cassette transporter MalFGK2. | | Descriptor: | Maltose/maltodextrin import ATP-binding protein MalK, Maltose/maltodextrin transport system permease protein MalF, Maltose/maltodextrin transport system permease protein MalG | | Authors: | Qian, R, Jing, W, Vinay, I, Shanwen, Z, Jeehae, S, William, G.L, Luis, M.R.H, Jong, H.S, Young, A.G, IIya, L, Kirill, M, Baron, C, Huan, B. | | Deposit date: | 2024-04-09 | | Release date: | 2025-04-30 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Engineering membrane scaffold peptides to enable
detergent-free reconstitution of native NDs
To Be Published
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