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5L2U
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BU of 5l2u by Molmil
Oligomer crystal structure of CC chemokine 5 (CCL5)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, C-C motif chemokine 5, CHLORIDE ION, ...
Authors:Liang, W, Wang, A, Tang, W.-J.
Deposit date:2016-08-02
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:High resolution oligomer crystal structure of CC chemokine 5 (CCL5)
To Be Published
5Y4M
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BU of 5y4m by Molmil
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
6PET
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BU of 6pet by Molmil
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:2024-03-13
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
3UX9
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BU of 3ux9 by Molmil
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
1WOF
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BU of 1wof by Molmil
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
2D2D
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BU of 2d2d by Molmil
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
4DKS
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BU of 4dks by Molmil
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
3VCF
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BU of 3vcf by Molmil
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
4M1C
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BU of 4m1c by Molmil
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
7C6P
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BU of 7c6p by Molmil
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
6PFM
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BU of 6pfm by Molmil
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
2AMD
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BU of 2amd by Molmil
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
2AMQ
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BU of 2amq by Molmil
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
2AMP
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BU of 2amp by Molmil
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
8EZ7
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BU of 8ez7 by Molmil
Structure of 1F04 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 1F04, Light chain of influenza virus neuraminidase antibody 1F04, ...
Authors:Mou, Z, Lei, R, Wu, N.C, Dai, X.
Deposit date:2022-10-31
Release date:2023-11-08
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase
Immunity, 56, 2023
8EZ3
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BU of 8ez3 by Molmil
Structure of 3A10 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 3A10, Light chain of influenza virus neuraminidase antibody 3A10, ...
Authors:Mou, Z, Lei, R, Wu, N.C, Dai, X.
Deposit date:2022-10-31
Release date:2023-11-08
Last modified:2023-11-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase
Immunity, 56, 2023
8EZ8
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BU of 8ez8 by Molmil
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:2023-11-22
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Leveraging vaccination-induced protective antibodies to define conserved epitopes on influenza N2 neuraminidase
Immunity, 56, 2023
3U3Q
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BU of 3u3q by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
3U3T
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BU of 3u3t by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
3U3S
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BU of 3u3s by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS.
Acta Crystallogr.,Sect.D, 68, 2012
3U3P
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BU of 3u3p by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
3U3V
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BU of 3u3v by Molmil
The S-SAD phased crystal structure of the ecto-domain of Death Receptor 6 (DR6)
Descriptor: Tumor necrosis factor receptor superfamily member 21
Authors:Ru, H, Zhao, L.X, Ding, W, Jiao, L.Y, Shaw, N, Zhang, L.G, Hung, L.W, Matsugaki, N, Wakatsuki, S, Liu, Z.J.
Deposit date:2011-10-06
Release date:2012-05-02
Last modified:2012-07-11
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:S-SAD phasing study of death receptor 6 and its solution conformation revealed by SAXS
Acta Crystallogr.,Sect.D, 68, 2012
2K1I
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BU of 2k1i by Molmil
Synthesis, Structure and Activities of an Oral Mucosal Alpha-Defensin from Rhesus Macaque
Descriptor: Mucosal Alpha-Defensin
Authors:Vasudevan, S.V, Yuan, J, Osapay, G, Tran, P, Tai, K, Selsted, M, Cocco, M.J.
Deposit date:2008-03-05
Release date:2008-10-28
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:Synthesis, structure, and activities of an oral mucosal alpha-defensin from rhesus macaque.
J.Biol.Chem., 283, 2008
6E75
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BU of 6e75 by Molmil
Structure of Human Transthyretin Asp38Ala Mutant
Descriptor: ACETATE ION, 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:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Variants of Transthyretin
To Be Published
6E6Z
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BU of 6e6z by Molmil
Structure of Wild Type Human Transthyretin in Complex with Tafamidis
Descriptor: 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic 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:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Variants of Transthyretin
To Be Published

 

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