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PDB: 176 results

5KWW
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BU of 5kww by Molmil
Crystal Structure of Inhibitor JNJ-53718678 In Complex with Prefusion RSV F Glycoprotein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[5-chloranyl-1-(3-methylsulfonylpropyl)indol-2-yl]methyl]-1-[2,2,2-tris(fluoranyl)ethyl]imidazo[4,5-c]pyridin-2-one, ...
Authors:McLellan, J.S, Battles, M.B, Arnoult, E, Roymans, D, Langedijk, J.P.
Deposit date:2016-07-19
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Therapeutic efficacy of a respiratory syncytial virus fusion inhibitor.
Nat Commun, 8, 2017
4R4H
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BU of 4r4h by Molmil
Crystal structure of non-neutralizing, A32-like antibody 2.2c in complex with HIV-1 Env gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 2.2c, Heavy chain, ...
Authors:Mclellan, J, Acharya, P, Huang, C.-C, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-17
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.28 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
3D1M
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BU of 3d1m by Molmil
Crystal Structure of Sonic Hedgehog Bound to the third FNIII domain of CDO
Descriptor: CALCIUM ION, Cell adhesion molecule, Sonic hedgehog protein, ...
Authors:McLellan, J.S, Leahy, D.J.
Deposit date:2008-05-06
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The mode of Hedgehog binding to Ihog homologues is not conserved across different phyla.
Nature, 455, 2008
4R4B
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BU of 4r4b by Molmil
Crystal structure of the anti-hiv-1 antibody 2.2c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB 2.2C HEAVY CHAIN, FAB 2.2C LIGHT CHAIN, ...
Authors:McLellan, J.S, Acharya, P, Huang, C.-C, Robinson, J, Kwong, P.D.
Deposit date:2014-08-19
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
J.Virol., 88, 2014
3IXT
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BU of 3ixt by Molmil
Crystal Structure of Motavizumab Fab Bound to Peptide Epitope
Descriptor: 1,2-ETHANEDIOL, Fusion glycoprotein F1, Motavizumab Fab heavy chain, ...
Authors:McLellan, J.S, Chen, M, Kim, A, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2009-09-04
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of respiratory syncytial virus neutralization by motavizumab.
Nat.Struct.Mol.Biol., 17, 2010
6OE4
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BU of 6oe4 by Molmil
Prefusion RSV F monomer bound by neutralizing antibody CR9501
Descriptor: 1,2-ETHANEDIOL, CR9501 Fab Heavy Chain, CR9501 Fab Light Chain, ...
Authors:McLellan, J.S, Gilman, M.S.A.
Deposit date:2019-03-27
Release date:2019-04-17
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Transient opening of trimeric prefusion RSV F proteins.
Nat Commun, 10, 2019
2IBG
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BU of 2ibg by Molmil
Crystal Structure of Hedgehog Bound to the FNIII Domains of Ihog
Descriptor: CG9211-PA, PHOSPHATE ION, Protein hedgehog
Authors:McLellan, J.S, Leahy, D.J.
Deposit date:2006-09-11
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2IC2
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BU of 2ic2 by Molmil
Crystal Structure of the First FNIII Domain of Ihog
Descriptor: CG9211-PA, SULFATE ION
Authors:McLellan, J.S, Leahy, D.J.
Deposit date:2006-09-12
Release date:2006-10-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2IBB
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BU of 2ibb by Molmil
Crystal Structure of the First and Second FNIII Domains of Ihog
Descriptor: CG9211-PA, SULFATE ION
Authors:McLellan, J.S, Leahy, D.J.
Deposit date:2006-09-11
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a heparin-dependent complex of Hedgehog and Ihog.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4HQQ
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BU of 4hqq by Molmil
Crystal structure of RV144-elicited antibody CH58
Descriptor: CH58 Fab heavy chain, CH58 Fab light chain
Authors:McLellan, J.S, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-25
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4HPY
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BU of 4hpy by Molmil
Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide
Descriptor: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ...
Authors:McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-24
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
4HPO
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BU of 4hpo by Molmil
Crystal structure of RV144-elicited antibody CH58 in complex with V2 peptide
Descriptor: CH58 Fab heavy chain, CH58 Fab light chain, Envelope glycoprotein gp160, ...
Authors:McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-24
Release date:2013-02-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
6VKE
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BU of 6vke by Molmil
Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile, CHLORIDE ION, ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
6VKD
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BU of 6vkd by Molmil
Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, Prefusion RSV F (DS-Cav1), ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
6VKC
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BU of 6vkc by Molmil
Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, D(-)-TARTARIC ACID, ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
5C69
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BU of 5c69 by Molmil
Crystal Structure of Prefusion-stabilized RSV F variant PR-DM
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Fusion glycoprotein F0,Fibritin, ...
Authors:McLellan, J.S, Langedijk, J.P.M.
Deposit date:2015-06-22
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A highly stable prefusion RSV F vaccine derived from structural analysis of the fusion mechanism.
Nat Commun, 6, 2015
5C6B
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BU of 5c6b by Molmil
Crystal Structure of Prefusion-stabilized RSV F variant SC-TM
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Fusion glycoprotein F0,Fibritin, ...
Authors:McLellan, J.S, Langedijk, J.P.M.
Deposit date:2015-06-22
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A highly stable prefusion RSV F vaccine derived from structural analysis of the fusion mechanism.
Nat Commun, 6, 2015
3U36
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BU of 3u36 by Molmil
Crystal Structure of PG9 Fab
Descriptor: PG9 Fab heavy chain, PG9 Fab light chain, SULFATE ION
Authors:McLellan, J.S, Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.281 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3U2S
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BU of 3u2s by Molmil
Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain ZM109
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:McLellan, J.S, Pancera, M, Kwong, P.D.
Deposit date:2011-10-04
Release date:2011-11-30
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
4MMS
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BU of 4mms by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 5.5
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION
Authors:Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4JHA
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BU of 4jha by Molmil
Crystal Structure of RSV-Neutralizing Human Antibody D25
Descriptor: D25 antigen-binding fragment heavy chain, D25 light chain
Authors:Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S.
Deposit date:2013-03-04
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013
4JHW
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BU of 4jhw by Molmil
Crystal Structure of Respiratory Syncytial Virus Fusion Glycoprotein Stabilized in the Prefusion Conformation by Human Antibody D25
Descriptor: D25 antigen-binding fragment heavy chain, D25 light chain, Fusion glycoprotein F0
Authors:Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S.
Deposit date:2013-03-05
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013
4MMQ
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BU of 4mmq by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant DS
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION
Authors:Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.253 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
7KQD
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BU of 7kqd by Molmil
Prefusion RSV F Bound to RV521
Descriptor: 1'-{[5-(aminomethyl)-1-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-yl]methyl}-6'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'H)-one, Fusion glycoprotein F0, SULFATE ION
Authors:McLellan, J.S.
Deposit date:2020-11-14
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.
J.Med.Chem., 64, 2021

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