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1RVZ
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BU of 1rvz by Molmil
1934 H1 Hemagglutinin in complex with LSTC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S, Elliot, A, Wiley, D.C, Skehel, J.J.
Deposit date:2003-12-15
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1RVX
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BU of 1rvx by Molmil
1934 H1 Hemagglutinin in complex with LSTA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S, Elliot, A, Wiley, D.C, Skehel, J.J.
Deposit date:2003-12-15
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
2M9O
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BU of 2m9o by Molmil
Solution structure of kalata B7
Descriptor: Kalata-B7
Authors:Daly, N, Elliott, A, Craik, D.
Deposit date:2013-06-18
Release date:2013-11-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Cyclotides as templates for peptide GPCR ligand design - discovery of the target receptor of the oxytocic plant peptide kalata B7
Proc.Natl.Acad.Sci.USA, 2013
5V0Y
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BU of 5v0y by Molmil
Solution structure of arenicin-3.
Descriptor: arenicin-3
Authors:Edwards, I.A, Mobli, M.
Deposit date:2017-02-28
Release date:2018-08-08
Last modified:2020-06-10
Method:SOLUTION NMR
Cite:An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria
Nat Commun, 2020
1RV0
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BU of 1rv0 by Molmil
1930 Swine H1 Hemagglutinin complexed with LSTA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose, hemagglutinin
Authors:Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S.
Deposit date:2003-12-12
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1RU7
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BU of 1ru7 by Molmil
1934 Human H1 Hemagglutinin
Descriptor: hemagglutinin
Authors:Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S.
Deposit date:2003-12-11
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1RVT
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BU of 1rvt by Molmil
1930 H1 Hemagglutinin in complex with LSTC
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S.
Deposit date:2003-12-15
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1RUY
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BU of 1ruy by Molmil
1930 Swine H1 Hemagglutinin
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S.
Deposit date:2003-12-12
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
1RUZ
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BU of 1ruz by Molmil
1918 H1 Hemagglutinin
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, hemagglutinin
Authors:Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S.
Deposit date:2003-12-12
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The structure and receptor binding properties of the 1918 influenza hemagglutinin.
Science, 303, 2004
6I9I
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BU of 6i9i by Molmil
Rift valley fever virus Gn in complex with a neutralizing antibody fragment
Descriptor: Glycoprotein, RV-Gn1 Heavy chain, RV-Gn1 Light chain
Authors:Allen, E.R, Bowden, T.A.
Deposit date:2018-11-23
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Protective Monoclonal Antibody Targets a Site of Vulnerability on the Surface of Rift Valley Fever Virus.
Cell Rep, 25, 2018
8V8H
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BU of 8v8h by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8I
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BU of 8v8i by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8V
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BU of 8v8v by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7).
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8U
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BU of 8v8u by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12).
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8J
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BU of 8v8j by Molmil
PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8FBZ
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BU of 8fbz by Molmil
Crystal Structure of apo human Glutathione Synthetase Y270E
Descriptor: GLYCEROL, Glutathione synthetase, SULFATE ION
Authors:Stanford, S.M, Santelli, E, Sankaran, B, Murali, R, Bottini, N.
Deposit date:2022-11-30
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Targeting prostate tumor low-molecular weight tyrosine phosphatase for oxidation-sensitizing therapy.
Sci Adv, 10, 2024

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PDB entries from 2024-09-18

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