5L2U
 
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5Y4M
 | | Discoidin domain of human CASPR2 | | Descriptor: | 1,2-ETHANEDIOL, human CASPR2 Disc domain | | Authors: | Liu, H, Xu, F, Zhang, J, Liang, W. | | Deposit date: | 2017-08-04 | | Release date: | 2018-08-08 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural mapping of hot spots within human CASPR2 discoidin domain for autoantibody recognition.
J. Autoimmun., 96, 2019
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1I1I
 | | NEUROLYSIN (ENDOPEPTIDASE 24.16) CRYSTAL STRUCTURE | | Descriptor: | NEUROLYSIN, ZINC ION | | Authors: | Brown, C.K, Madauss, K, Lian, W, Tolbert, W.D, Beck, M.R, Rodgers, D.W. | | Deposit date: | 2001-02-01 | | Release date: | 2001-02-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of neurolysin reveals a deep channel that limits substrate access.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1NM8
 | | Structure of Human Carnitine Acetyltransferase: Molecular Basis for Fatty Acyl Transfer | | Descriptor: | Carnitine O-acetyltransferase | | Authors: | Wu, D, Govindasamy, L, Lian, W, Gu, Y, Kukar, T, Agbandje-McKenna, M, McKenna, R. | | Deposit date: | 2003-01-09 | | Release date: | 2003-03-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Human Carnitine Acetyltransferase. Molecular Basis for Fatty Acyl Transfer
J.Biol.Chem., 278, 2003
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1S5O
 | | Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase | | Descriptor: | CARNITINE, carnitine acetyltransferase isoform 2 | | Authors: | Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D. | | Deposit date: | 2004-01-21 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase.
J.Struct.Biol., 146, 2004
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1T1U
 | | Structural Insights and Functional Implications of Choline Acetyltransferase | | Descriptor: | Choline O-acetyltransferase | | Authors: | Govindasamy, L, Pedersen, B, Lian, W, Kukar, T, Gu, Y, Jin, S, Agbandje-McKenna, M, Wu, D. | | Deposit date: | 2004-04-18 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights and functional implications of choline acetyltransferase
J.Struct.Biol., 148, 2004
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6PET
 | | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | | Deposit date: | 2019-06-20 | | Release date: | 2019-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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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
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3UX9
 | | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus | | Descriptor: | Interferon alpha-1/13, ScFv antibody | | Authors: | Ouyang, S, Zhao, L.X, Liang, W, Shaw, N, Liu, Z.-J, Liang, M.-F. | | Deposit date: | 2011-12-04 | | Release date: | 2012-02-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus
J.Mol.Med., 2012
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3VCF
 | | SSV1 integrase C-terminal catalytic domain (174-335aa) | | Descriptor: | Probable integrase | | Authors: | Ouyang, S, Liang, W, Huang, L, Liu, Z.-J. | | Deposit date: | 2012-01-04 | | Release date: | 2012-05-30 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional characterization of the C-terminal catalytic domain of SSV1 integrase.
Acta Crystallogr.,Sect.D, 68, 2012
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1WOF
 | | Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | | Authors: | Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z. | | Deposit date: | 2004-08-18 | | Release date: | 2005-08-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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7C6P
 | | Bromodomain-containing 4 BD2 in complex with 3',4',7,8- Tetrahydroxyflavonoid | | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4 | | Authors: | Li, J, Yu, K, Luo, Y, Zheng, W, Liang, W, Zhu, J. | | Deposit date: | 2020-05-22 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
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4M1C
 | | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40) | | Descriptor: | Amyloid beta A4 protein, Fab-bound IDE, heavy chain, ... | | Authors: | McCord, L.M, Liang, W, Farcasanu, M, Scherpelz, K, Meredith, S.C, Koide, S, Tang, W.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5007 Å) | | Cite: | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40)
To be Published
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4DKS
 | | A spindle-shaped virus protein (chymotrypsin treated) | | Descriptor: | Probable integrase | | Authors: | Ouyang, S, Liang, W, Huang, L, Liu, Z.-J. | | Deposit date: | 2012-02-04 | | Release date: | 2012-05-30 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional characterization of the C-terminal catalytic domain of SSV1 integrase.
Acta Crystallogr.,Sect.D, 68, 2012
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6LWT
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5YAO
 | | The complex structure of SZ529 and expoxid | | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase, SODIUM ION | | Authors: | Lian, W, Sun, Z.T, Zhou, J.H, Reetz, M.T. | | Deposit date: | 2017-09-01 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.611 Å) | | Cite: | Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations
J. Am. Chem. Soc., 140, 2018
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6AIB
 | | Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA | | Descriptor: | DEAD-box ATP-dependent RNA helicase CshA | | Authors: | Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z. | | Deposit date: | 2018-08-22 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
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1S4B
 | | Crystal structure of human thimet oligopeptidase. | | Descriptor: | Thimet oligopeptidase, ZINC ION | | Authors: | Ray, K, Hines, C.S, Coll-Rodriguez, J, Rodgers, D.W. | | Deposit date: | 2004-01-15 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human thimet oligopeptidase provides insight into substrate recognition, regulation, and localization
J.Biol.Chem., 279, 2004
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2O3E
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6PFM
 | | Crystal structure of GDC-0927 bound to estrogen receptor alpha | | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | | Deposit date: | 2019-06-21 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
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6E78
 | | Structure of Human Transthyretin Asp38Ala Mutant in Complex with Diflunisal | | Descriptor: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, Transthyretin | | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structural Variants of Transthyretin
To Be Published
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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
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2AMP
 | | Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1 | | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-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: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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2AMD
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | | Descriptor: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | | Authors: | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | Deposit date: | 2005-08-09 | | Release date: | 2005-09-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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8EZ8
 | | Structure of 3C08 Fab in complex with A/Moscow/10/1999 (H3N2) influenza virus neuraminidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of influenza virus neuraminidase antibody 3C08, Light chain of influenza virus neuraminidase antibody 3C08, ... | | Authors: | Mou, Z, Lei, R, Wu, N.C, Dai, X. | | Deposit date: | 2022-10-31 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase.
Immunity, 56, 2023
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