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PDB: 14 results

3GNV
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BU of 3gnv by Molmil
HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 1b
Descriptor: (11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, GLYCEROL, RNA-directed RNA polymerase
Authors:De Bondt, H, Nyanguile, O.
Deposit date:2009-03-18
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009
9PAI
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CLEAVED SUBSTRATE VARIANT OF PLASMINOGEN ACTIVATOR INHIBITOR-1
Descriptor: PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 19-364, PROTEIN (PLASMINOGEN ACTIVATOR INHIBITOR-1) residues 365-397
Authors:Aertgeerts, K, De Bondt, H.L, De Ranter, C.J, Declerck, P.J.
Deposit date:1999-03-11
Release date:1999-03-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanisms contributing to the conformational and functional flexibility of plasminogen activator inhibitor-1.
Nat.Struct.Biol., 2, 1995
2TNF
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BU of 2tnf by Molmil
1.4 A RESOLUTION STRUCTURE OF MOUSE TUMOR NECROSIS FACTOR, TOWARDS MODULATION OF ITS SELECTIVITY AND TRIMERISATION
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, PROTEIN (TUMOR NECROSIS FACTOR ALPHA)
Authors:Baeyens, K.J, De Bondt, H.L, Raeymaekers, A, Fiers, W, De Ranter, C.J.
Deposit date:1998-10-12
Release date:1999-10-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structure of mouse tumour-necrosis factor at 1.4 A resolution: towards modulation of its selectivity and trimerization.
Acta Crystallogr.,Sect.D, 55, 1999
1HCL
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HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor: HUMAN CYCLIN-DEPENDENT KINASE 2
Authors:Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
1HCK
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HUMAN CYCLIN-DEPENDENT KINASE 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION
Authors:Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H.
Deposit date:1996-06-03
Release date:1996-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design.
J.Med.Chem., 39, 1996
2SAK
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BU of 2sak by Molmil
STAPHYLOKINASE (SAKSTAR VARIANT)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, STAPHYLOKINASE
Authors:Rabijns, A, De Bondt, H.L, De Maeyer, M, Lasters, I, De Ranter, C.
Deposit date:1997-02-20
Release date:1998-02-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of staphylokinase, a plasminogen activator with therapeutic potential.
Nat.Struct.Biol., 4, 1997
1UQR
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Type II 3-dehydroquinate dehydratase (DHQase) from Actinobacillus pleuropneumoniae
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION
Authors:Maes, D, Gonzalez-Ramirez, L.A, Lopez-Jaramillo, J, Yu, B, De Bondt, H, Zegers, I, Afonina, E, Garcia-Ruiz, J.M, Gulnik, S.
Deposit date:2003-10-16
Release date:2003-10-30
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Study of the Type II 3-Dehydroquinate Dehydratase from Actinobacillus Pleuropneumoniae
Acta Crystallogr.,Sect.D, 60, 2004
205D
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BU of 205d by Molmil
STRUCTURE OF AN RNA DOUBLE HELIX INCLUDING URACIL-URACIL BASE PAIRS IN AN INTERNAL LOOP
Descriptor: RNA (5'-R(*GP*GP*AP*CP*UP*UP*UP*GP*GP*UP*CP*C)-3')
Authors:Baeyens, K.J, De Bondt, H.L, Holbrook, S.R.
Deposit date:1995-04-14
Release date:1995-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure of an RNA double helix including uracil-uracil base pairs in an internal loop.
Nat.Struct.Biol., 2, 1995
283D
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A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING
Descriptor: MANGANESE (II) ION, RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3')
Authors:Baeyens, K.J, De Bondt, H.L, Pardi, A, Holbrook, S.R.
Deposit date:1996-09-03
Release date:1996-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A curved RNA helix incorporating an internal loop with G.A and A.A non-Watson-Crick base pairing.
Proc.Natl.Acad.Sci.USA, 93, 1996
3KPE
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Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV
Descriptor: 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
Authors:Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
3GOL
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BU of 3gol by Molmil
HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d
Descriptor: (11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, MAGNESIUM ION, RNA-directed RNA polymerase
Authors:Nyanguile, O, De Bondt, H.
Deposit date:2009-03-19
Release date:2009-06-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Bioorg.Med.Chem.Lett., 19, 2009
3HKY
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BU of 3hky by Molmil
HCV NS5B polymerase genotype 1b in complex with 1,5 benzodiazepine 6
Descriptor: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase, ...
Authors:Nyanguile, O, De Bondt, H.L.
Deposit date:2009-05-26
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
3HKW
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BU of 3hkw by Molmil
HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
Descriptor: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, GLYCEROL, NS5B RNA-dependent RNA polymerase, ...
Authors:Nyanguile, O, De Bondt, H.L.
Deposit date:2009-05-26
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:1a/1b subtype profiling of nonnucleoside polymerase inhibitors of hepatitis C virus
J.Virol., 84, 2010
3GNW
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HCV NS5B polymerase in complex with 1,5 benzodiazepine inhibitor 4c
Descriptor: (11S)-11-[4-(benzyloxy)-2-fluorophenyl]-3,3-dimethyl-10-[(6-methylpyridin-2-yl)carbonyl]-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide, CHLORIDE ION, RNA-directed RNA polymerase
Authors:Nyanguile, O, De Bondt, H.
Deposit date:2009-03-18
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure-based design of a benzodiazepine scaffold yields a potent allosteric inhibitor of hepatitis C NS5B RNA polymerase.
J.Med.Chem., 52, 2009

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