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6CK9
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BU of 6ck9 by Molmil
Crystal Structure of HIV-1 ConC_Base0 Prefusion Env Trimer in Complex with Human Antibody Fragment 3H109L and 35O22 variants at 3.5 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-02-27
Release date:2018-04-25
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.714 Å)
Cite:A Universal Approach to Optimize the Folding and Stability of Prefusion-Closed HIV-1 Envelope Trimers.
Cell Rep, 23, 2018
5WXC
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BU of 5wxc by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 2)
Descriptor: Beta-2-microglobulin, H7-25-F, HLA class I histocompatibility antigen, ...
Authors:Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2017-01-07
Release date:2018-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
5WXD
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BU of 5wxd by Molmil
Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1)
Descriptor: Beta-2-microglobulin, H7-25, HLA class I histocompatibility antigen, ...
Authors:Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F.
Deposit date:2017-01-07
Release date:2018-01-17
Last modified:2019-07-31
Method:X-RAY DIFFRACTION (3.295 Å)
Cite:Heterosubtypic Protections against Human-Infecting Avian Influenza Viruses Correlate to Biased Cross-T-Cell Responses.
Mbio, 9, 2018
6MUG
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BU of 6mug by Molmil
Crystal Structure of HIV-1 B41 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-386150 in Complex with Human Antibodies 3H109L and 35O22 at 3.8 Angstrom
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-23
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.954 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
2L23
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BU of 2l23 by Molmil
NMR structure of the ACID (ACtivator Interacting Domain) of the human mediator Med25 protein
Descriptor: Mediator of RNA polymerase II transcription subunit 25
Authors:Bontems, F, Monte, D, Dewitte, F, Villeret, V.
Deposit date:2010-08-10
Release date:2010-11-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the human Mediator MED25 ACID domain.
J.Struct.Biol., 174, 2011
2KZU
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BU of 2kzu by Molmil
DAXX helical bundle (DHB) domain / Rassf1C complex
Descriptor: Death-associated protein 6, Ras association (RalGDS/AF-6) domain family 1
Authors:Escobar-Cabrera, E, Lau, D.K.W, Giovinazzi, S, Ishov, A.M, McIntosh, L.P.
Deposit date:2010-06-25
Release date:2010-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of the DAXX N-Terminal Helical Bundle Domain and Its Complex with Rassf1C.
Structure, 18, 2010
2LLH
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BU of 2llh by Molmil
NMR structure of Npm1_c70
Descriptor: Nucleophosmin
Authors:Banci, L, Bertini, I, Brunori, M, Di Matteo, A, Federici, L, Gallo, A, Lo Sterzo, C, Mori, M.
Deposit date:2011-11-09
Release date:2012-06-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of Nucleophosmin DNA-binding Domain and Analysis of Its Complex with a G-quadruplex Sequence from the c-MYC Promoter.
J.Biol.Chem., 287, 2012
6MU7
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BU of 6mu7 by Molmil
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-818251 in Complex with Human Antibodies 3H109L and 35O22 at 3.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 scFv heavy chain portion, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-10-22
Release date:2019-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry.
Nat Commun, 10, 2019
4MZA
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BU of 4mza by Molmil
Crystal structure of hPIV3 hemagglutinin-neuraminidase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-09-29
Release date:2013-11-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Interaction between the hemagglutinin-neuraminidase and fusion glycoproteins of human parainfluenza virus type III regulates viral growth in vivo.
MBio, 4, 2013
5DK2
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BU of 5dk2 by Molmil
Fc Heterodimer E356K/D399K + K392D/K409D
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
5DMH
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BU of 5dmh by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein conserved in bacteria
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-09-08
Release date:2015-10-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a domain of unknown function (DUF1537) from Ralstonia eutropha H16 (H16_A1561), Target EFI-511666, complex with ADP.
To be published
5DLV
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BU of 5dlv by Molmil
Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA)
Descriptor: 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, von Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
5DJZ
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BU of 5djz by Molmil
Fc Heterodimer Design 7.8 D399M/Y407A + T366V/K409V
Descriptor: Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B.
Deposit date:2015-09-02
Release date:2016-03-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Computationally Designed Bispecific Antibodies using Negative State Repertoires.
Structure, 24, 2016
2HKF
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BU of 2hkf by Molmil
Crystal structure of the Complex Fab M75- Peptide
Descriptor: Carbonic anhydrase 9, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment
Authors:Kral, V, Mader, P, Stouracova, R, Fabry, M, Horejsi, M, Brynda, J.
Deposit date:2006-07-04
Release date:2007-11-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
2HKH
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BU of 2hkh by Molmil
Crystal structure of the Fab M75
Descriptor: GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment
Authors:Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J.
Deposit date:2006-07-04
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
6CRD
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BU of 6crd by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) with tetrabrachion (TB) domain stalk
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tetrabrachion,Neuraminidase, ...
Authors:Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J.
Deposit date:2018-03-16
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
4O5N
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BU of 4o5n by Molmil
Crystal structure of A/Victoria/361/2011 (H3N2) influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-12-19
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Receptor mimicry by antibody F045-092 facilitates universal binding to the H3 subtype of influenza virus.
Nat Commun, 5, 2014
6N2X
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BU of 6n2x by Molmil
Anti-HIV-1 Fab 2G12 + Man9 re-refinement
Descriptor: Fab 2G12 heavy chain, Fab 2G12 light chain, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Calarese, D.A, Stanfield, R.L, Wilson, I.A.
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Antibody domain exchange is an immunological solution to carbohydrate cluster recognition.
Science, 300, 2003
6D3B
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BU of 6d3b by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) APO FORM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Streltsov, V.A, Schmidt, P, McKimm-Breschkin, J.
Deposit date:2018-04-15
Release date:2019-01-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk.
Acta Crystallogr.,Sect.F, 75, 2019
6CXG
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BU of 6cxg by Molmil
anti-HIV-1 Fab 2G12 in complex with glycopeptide 10V1S
Descriptor: 10V1S glycopeptide, GLYCEROL, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2018-04-03
Release date:2019-02-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Oligomannose Glycopeptide Conjugates Elicit Antibodies Targeting the Glycan Core Rather than Its Extremities.
ACS Cent Sci, 5, 2019
6NQD
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BU of 6nqd by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 G52K5 heavy chain, ...
Authors:Fang, Q, Rossmann, M.G.
Deposit date:2019-01-21
Release date:2019-03-06
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A sequestered fusion peptide in the structure of an HIV-1 transmitted founder envelope trimer.
Nat Commun, 10, 2019
2HYA
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BU of 2hya by Molmil
HYALURONIC ACID, MOLECULAR CONFORMATIONS AND INTERACTIONS IN TWO SODIUM SALTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid, SODIUM ION
Authors:Arnott, S.
Deposit date:1977-11-20
Release date:1980-03-28
Last modified:2024-02-21
Method:FIBER DIFFRACTION (3 Å)
Cite:Hyaluronic acid: molecular conformations and interactions in two sodium salts.
J.Mol.Biol., 95, 1975
4MX0
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BU of 4mx0 by Molmil
Shanghai N9-peramivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, CALCIUM ION, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
6D3T
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BU of 6d3t by Molmil
NMR solution structure of tamapin, mutant DP30
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio Portilla, F, Melchor Meneses, C.M, Titaux Delgado, G, Mayorga Flores, M.
Deposit date:2018-04-16
Release date:2019-07-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Acs Med.Chem.Lett., 2020
5W26
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BU of 5w26 by Molmil
INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID
Descriptor: (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G.
Deposit date:2017-06-05
Release date:2018-02-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018

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數據於2024-10-16公開中

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