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PDB: 50 results

2G2Q
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BU of 2g2q by Molmil
The crystal structure of G4, the poxviral disulfide oxidoreductase essential for cytoplasmic disulfide bond formation
Descriptor: Glutaredoxin-2, SULFATE ION
Authors:Su, H.P, Lin, D.Y, Garboczi, D.N.
Deposit date:2006-02-16
Release date:2006-08-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of G4, the poxvirus disulfide oxidoreductase essential for virus maturation and infectivity.
J.Virol., 80, 2006
5EAK
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BU of 5eak by Molmil
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
Descriptor: N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide, Serine/threonine-protein kinase MARK2
Authors:Su, H.P.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Bioorg.Med.Chem.Lett., 26, 2016
8T9Z
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BU of 8t9z by Molmil
Structural of M8C10 Fab in complex human metapneumovirus fusion protein
Descriptor: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain
Authors:Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C.
Deposit date:2023-06-26
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
3M9F
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BU of 3m9f by Molmil
HIV protease complexed with compound 10b
Descriptor: CHLORIDE ION, HIV-1 protease, N-[(1S,5S)-5-{[(4-aminophenyl)sulfonyl](3-methylbutyl)amino}-1-methyl-6-oxohexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Authors:Su, H.P.
Deposit date:2010-03-22
Release date:2010-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1YPY
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BU of 1ypy by Molmil
Crystal Structure of Vaccinia Virus L1 protein
Descriptor: Virion membrane protein
Authors:Su, H.P, Garman, S.C, Allison, T.J, Fogg, C, Moss, B, Garboczi, D.N.
Deposit date:2005-01-31
Release date:2005-03-01
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The 1.51-Angstrom structure of the poxvirus L1 protein, a target of potent neutralizing antibodies.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2I9L
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BU of 2i9l by Molmil
Structure of Fab 7D11 from a neutralizing antibody against the poxvirus L1 protein
Descriptor: Antibody 7D11 heavy chain, Antibody 7D11 light chain, GLYCEROL, ...
Authors:Su, H.P, Golden, J.W, Gittis, A.G, Moss, B, Hooper, J.W, Garboczi, D.N.
Deposit date:2006-09-05
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the binding of the neutralizing antibody, 7D11, to the poxvirus L1 protein
Virology, 368, 2007
6OUS
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BU of 6ous by Molmil
Structure of fusion glycoprotein from human respiratory syncytial virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
Authors:Su, H.P.
Deposit date:2019-05-05
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A potent broadly neutralizing human RSV antibody targets conserved site IV of the fusion glycoprotein.
Nat Commun, 10, 2019
6XDS
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BU of 6xds by Molmil
Crystal structure of MBP-TREM2 Ig domain fusion with fragment, 2-((4-bromophenyl)amino)ethan-1-ol
Descriptor: 2-[(4-bromophenyl)amino]ethan-1-ol, DIMETHYL SULFOXIDE, Sugar ABC transporter substrate-binding protein,Triggering receptor expressed on myeloid cells 2, ...
Authors:Su, H.P.
Deposit date:2020-06-11
Release date:2021-02-17
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:Development of a robust crystallization platform for immune receptor TREM2 using a crystallization chaperone strategy.
Protein Expr.Purif., 179, 2021
5HX8
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BU of 5hx8 by Molmil
Jak1 complex with 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one
Descriptor: 4-[(4-aminocyclohexyl)amino]-3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one, Tyrosine-protein kinase JAK1
Authors:Su, H.P.
Deposit date:2016-01-29
Release date:2016-03-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and development of (benz)imidazole pyridones as JAK1-selective kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5I8A
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BU of 5i8a by Molmil
TrkA with (6~{R})-3-methylsulfanyl-6-phenyl-1-(1~{H}-pyrazol-3-yl)-6,7-dihydro-5~{H}-thieno[3,4-c]pyridin-4-one
Descriptor: (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2016-02-18
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
3DFJ
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BU of 3dfj by Molmil
Crystal structure of human Prostasin
Descriptor: CHLORIDE ION, Prostasin
Authors:Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K.
Deposit date:2008-06-12
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
3DFL
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BU of 3dfl by Molmil
Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid
Descriptor: 4-carbamimidamidobenzoic acid, Prostasin
Authors:Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K.
Deposit date:2008-06-12
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
5IVT
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BU of 5ivt by Molmil
Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium
Descriptor: (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5IVS
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BU of 5ivs by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-[2-[2-[(2R,5S)-5-(benzylcarbamoyloxymethyl)morpholin-2-yl]ethyl]anilino]-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, N-(2-{2-[(2R,5S)-5-{[(benzylcarbamoyl)oxy]methyl}morpholin-2-yl]ethyl}phenyl)-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5KML
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BU of 5kml by Molmil
TrkA JM-kinase with 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Descriptor: 1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMN
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BU of 5kmn by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5IVQ
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BU of 5ivq by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-benzhydryl-2-(3-morpholin-4-ium-2-ylpropylamino)-2-oxo-ethyl]carbamate
Descriptor: CHLORIDE ION, Nalpha-(methoxycarbonyl)-N-{3-[(2R)-morpholin-2-yl]propyl}-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5KMK
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BU of 5kmk by Molmil
TrkA JM-kinase with 2-fluoro-{N}-[2-(4-fluorophenyl)-6-methyl-3-pyridyl]-4-(trifluoromethyl)benzamide
Descriptor: 2-fluoranyl-~{N}-[2-(4-fluorophenyl)-6-methyl-pyridin-3-yl]-4-(trifluoromethyl)benzamide, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KZ8
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BU of 5kz8 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KMO
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BU of 5kmo by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(2-pyridyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-pyridin-2-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5IVR
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BU of 5ivr by Molmil
Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-[[2-[(3S)-3-[(4-aminophenyl)methylamino]-4-hydroxy-butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
Descriptor: CHLORIDE ION, N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
Authors:Su, H.P.
Deposit date:2016-03-21
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5KZ7
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BU of 5kz7 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KMM
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BU of 5kmm by Molmil
TrkA JM-kinase with 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-(1-naphthyl)urea
Descriptor: 1-(2-methyl-4-phenyl-pyrimidin-5-yl)-3-naphthalen-1-yl-urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMJ
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BU of 5kmj by Molmil
TrkA JM-kinase with {N}-(2-pyridylmethyl)-2-[2-(2-thienyl)indol-1-yl]acetamide
Descriptor: High affinity nerve growth factor receptor, ~{N}-(pyridin-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)ethanamide
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KMI
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BU of 5kmi by Molmil
TrkA JM-kinase with 1-(9{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea
Descriptor: 1-(9~{H}-fluoren-9-yl)-3-(2-methyl-4-phenyl-pyrimidin-5-yl)urea, High affinity nerve growth factor receptor
Authors:Su, H.P.
Deposit date:2016-06-27
Release date:2016-12-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural characterization of nonactive site, TrkA-selective kinase inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

 

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