2AMQ
 
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-10 | | Release date: | 2005-09-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
|
|
2D2D
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2 | | Descriptor: | 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z. | | Deposit date: | 2005-09-08 | | Release date: | 2005-09-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
|
|
5Z0V
 | | Structural insight into the Zika virus capsid encapsulating the viral genome | | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | | Deposit date: | 2017-12-21 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.913 Å) | | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
|
|
5Z0R
 | | Structural insight into the Zika virus capsid encapsulating the viral genome | | Descriptor: | Extracellular solute-binding protein family 1,viral genome protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Li, T, Zhao, Q, Yang, X, Chen, C, Yang, K, Wu, C, Zhang, T, Duan, Y, Xue, X, Mi, K, Ji, X, Wang, Z, Yang, H. | | Deposit date: | 2017-12-20 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
|
|
5FOA
 | | Crystal Structure of Human Complement C3b in complex with DAF (CCP2-4) | | Descriptor: | COMPLEMENT C3 BETA CHAIN, COMPLEMENT C3B ALPHA CHAIN, DECAY ACCELERATING FACTOR, ... | | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | | Deposit date: | 2015-11-18 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (4.188 Å) | | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
|
|
4REB
 | | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | | Descriptor: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
|
|
4REC
 | | A nuclease-DNA complex form 3 | | Descriptor: | DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
|
|
4REA
 | | A Nuclease DNA complex | | Descriptor: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-24 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.81 Å) | | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
|
|
5FOB
 | | Crystal Structure of Human Complement C3b in complex with Smallpox Inhibitor of Complement (SPICE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COMPLEMENT C3 BETA CHAIN, ... | | Authors: | Forneris, F, Wu, J, Xue, X, Gros, P. | | Deposit date: | 2015-11-18 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Regulators of Complement Activity Mediate Inhibitory Mechanisms Through a Common C3B-Binding Mode.
Embo J., 35, 2016
|
|
7BAG
 | | C3b in complex with CP40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, AMINO GROUP, ... | | Authors: | Lamers, C, Xue, X, Smiesko, M, van Son, H, Wagner, B, Sfyroera, G, Gros, P, Lambris, J, Ricklin, D. | | Deposit date: | 2020-12-15 | | Release date: | 2022-01-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors.
Nat Commun, 13, 2022
|
|
2Q6F
 | | Crystal structure of infectious bronchitis virus (IBV) main protease in complex with a Michael acceptor inhibitor N3 | | Descriptor: | Infectious bronchitis virus (IBV) main protease, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
|
|
2Q6D
 | | Crystal structure of infectious bronchitis virus (IBV) main protease | | Descriptor: | Infectious bronchitis virus (IBV) main protease | | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | Deposit date: | 2007-06-04 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
|
|
2Q6G
 | | Crystal structure of SARS-CoV main protease H41A mutant in complex with an N-terminal substrate | | Descriptor: | Polypeptide chain, severe acute respiratory syndrome coronavirus (SARS-CoV) | | Authors: | Xue, X.Y, Yang, H.T, Xue, F, Bartlam, M, Rao, Z.H. | | Deposit date: | 2007-06-05 | | Release date: | 2008-02-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of two coronavirus main proteases: implications for substrate binding and antiviral drug design.
J.Virol., 82, 2008
|
|
5WLP
 | |
5OFL
 | | Crystal structure of CbXyn10C variant E140Q/E248Q complexed with cellohexaose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, SULFATE ION, ... | | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J. | | Deposit date: | 2017-07-11 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.871 Å) | | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
|
|
5OFK
 | | Crystal structure of CbXyn10C variant E140Q/E248Q complexed with xyloheptaose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Glycoside hydrolase family 48, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J, Tu, T. | | Deposit date: | 2017-07-11 | | Release date: | 2017-10-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
|
|
5OFJ
 | | Crystal structure of N-terminal domain of bifunctional CbXyn10C | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, Glycoside hydrolase family 48 | | Authors: | Hakulinen, N, Penttinen, L, Rouvinen, J. | | Deposit date: | 2017-07-11 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Insights into the roles of non-catalytic residues in the active site of a GH10 xylanase with activity on cellulose.
J. Biol. Chem., 292, 2017
|
|
5Y93
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5Y8W
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5Y94
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5Y8Y
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5Y8Z
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-22 | | Release date: | 2018-06-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
5Y8C
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | | Deposit date: | 2017-08-21 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | Descriptor: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | Authors: | Spurlino, J, Milligan, C. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.202 Å) | | Cite: | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
3JCO
 | | Structure of yeast 26S proteasome in M1 state derived from Titan dataset | | Descriptor: | 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ... | | Authors: | Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
