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3Q8J
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BU of 3q8j by Molmil
Crystal Structure of Asteropsin A from Marine Sponge Asteropus sp.
Descriptor: Asteropsin A, METHANOL
Authors:Bowling, J.J, Fronczek, F.R, Hamann, M.T, Li, H, Jung, J.H.
Deposit date:2011-01-06
Release date:2012-04-18
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:An Uncommon Crystal Structure of a Marine Knottin Peptide from Asteropus sp.
To be published
2LQA
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BU of 2lqa by Molmil
Solution NMR structure of Asteropsin A from marine sponge Asteropus sp.
Descriptor: Asteropsin A
Authors:Li, H, Bowling, J.J, Hamann, M.T, Jung, J.H.
Deposit date:2012-02-28
Release date:2013-02-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Asteropsin A: An unusual cystine-crosslinked peptide from porifera enhances neuronal Ca(2+) influx
Biochim.Biophys.Acta, 1830, 2012
2LZY
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BU of 2lzy by Molmil
Solution NMR structure of asteropsin c from a marine sponge asteropus sp.
Descriptor: ABU8-3
Authors:Li, H, Bowling, J.J, Hamann, M.T, Jung, J.H.
Deposit date:2012-10-12
Release date:2013-10-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Sponge Derived Linear Knottins as a Novel Scaffold for Oral Peptide Drug Administration
To be Published
2LZX
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BU of 2lzx by Molmil
Solution NMR structure of Asteropsin B from a marine sponge Asteropus sp.
Descriptor: Asteropsin B
Authors:Li, H, Bowling, J.J, Hamann, M.T, Jung, J.H.
Deposit date:2012-10-11
Release date:2013-10-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Sponge Derived Linear Knottins as a Novel Scaffold for Oral Peptide Drug Administration
To be Published
7RKP
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BU of 7rkp by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733
Descriptor: (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N8F
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BU of 7n8f by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-06-14
Release date:2022-06-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7UMR
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BU of 7umr by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-1 (trans-form)
Descriptor: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-04-07
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7UUH
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BU of 7uuh by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form)
Descriptor: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-04-28
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8DPJ
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BU of 8dpj by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030
Descriptor: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-07-15
Release date:2022-09-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
8DIP
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BU of 8dip by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030
Descriptor: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2022-06-29
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N68
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BU of 7n68 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-06-07
Release date:2022-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
2M3J
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BU of 2m3j by Molmil
Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
Descriptor: Asteropsin_E
Authors:Li, H, Jung, J.H.
Deposit date:2013-01-21
Release date:2014-03-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of Marine Sponge-Derived Asteropsin E Which is Highly Resistant to Gastrointestinal Proteases
To be Published
6VL3
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BU of 6vl3 by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436
Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
Deposit date:2020-01-22
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6VJH
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BU of 6vjh by Molmil
The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986192
Descriptor: 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2020-01-16
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6VIV
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BU of 6viv by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192
Descriptor: 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2020-01-14
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6WIJ
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BU of 6wij by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448
Descriptor: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2020-04-10
Release date:2021-04-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6WJ4
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BU of 6wj4 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease wild type in complex with SJ000986448
Descriptor: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2020-04-11
Release date:2021-04-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
Descriptor: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
Deposit date:2021-02-05
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6V6X
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BU of 6v6x by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6VG9
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BU of 6vg9 by Molmil
The crystal structure of the 2009 H1N1/California PA endonuclease I38T mutant in complex with SJ000986248
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2020-01-07
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6V9E
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BU of 6v9e by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease wild type in complex with SJ000988632
Descriptor: 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one), MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2019-12-13
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6VBR
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BU of 6vbr by Molmil
The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986248
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2019-12-19
Release date:2021-02-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7K87
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BU of 7k87 by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease in complex with SJ000986436
Descriptor: 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
Deposit date:2020-09-25
Release date:2021-09-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7LW6
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BU of 7lw6 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease I38T mutant in complex with Raltegravir
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, White, S.W, Rankovik, Z.
Deposit date:2021-02-27
Release date:2021-05-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7M0N
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BU of 7m0n by Molmil
The crystal structure of wild type PA endonuclease (A/Vietnam/1203/2004) in complex with Raltegravir
Descriptor: GLYCEROL, MANGANESE (II) ION, N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(1-methyl-1-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}ethyl)-6-oxo-1,6-di hydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Yun, M.K, Dubois, R, Rankovic, Z, White, S.W.
Deposit date:2021-03-11
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023

 

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