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5IE1
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BU of 5ie1 by Molmil
Crystal structure of BACE1 in complex with 3-(2-amino-6-(o-tolyl)quinolin-3-yl)-N-(3,3-dimethylbutyl)propanamide
Descriptor: 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Jordan, J.B, Whittington, D.A, Bartberger, M.D, Sickmier, E.A, Chen, K, Cheng, Y, Judd, T.
Deposit date:2016-02-24
Release date:2016-03-30
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
2KEF
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BU of 2kef by Molmil
Solution NMR structures of human hepcidin at 325K
Descriptor: Hepcidin
Authors:Jordan, J.B, Poppe, L, Hainu, M, Arvedson, T, Syed, R, Li, V, Kohno, H, Kim, H, Miranda, L.P, Cheetham, J, Sasu, B.J.
Deposit date:2009-01-29
Release date:2009-06-23
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Hepcidin revisited, disulfide connectivity, dynamics, and structure.
J.Biol.Chem., 284, 2009
6CGW
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BU of 6cgw by Molmil
Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
Descriptor: Beta/kappa-theraphotoxin-Cg2a
Authors:Jordan, J.B, Andrews, K.
Deposit date:2018-02-21
Release date:2018-05-02
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
6CHC
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BU of 6chc by Molmil
JzTx-V toxin peptide, wild-type
Descriptor: Beta/kappa-theraphotoxin-Cg2a
Authors:Jordan, J.B.
Deposit date:2018-02-22
Release date:2018-05-16
Method:SOLUTION NMR
Cite:Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V.
PLoS ONE, 13, 2018
2LZG
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BU of 2lzg by Molmil
NMR Structure of Mdm2 (6-125) with Pip-1
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L.
Deposit date:2012-10-02
Release date:2012-11-07
Method:SOLUTION NMR
Cite:Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
2F55
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BU of 2f55 by Molmil
Two hepatitis c virus ns3 helicase domains complexed with the same strand of dna
Descriptor: 5'-D(P*(DU)P*(DU)P*(DU))-3', 5'-D(P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU)P*(DU))-3', SULFATE ION, ...
Authors:Lu, J.Z, Jordan, J.B, Sakon, J.
Deposit date:2005-11-25
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural and biological identification of residues on the surface of NS3 helicase required for optimal replication of the hepatitis C virus
J.Biol.Chem., 281, 2006
5I3V
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BU of 5i3v by Molmil
Crystal structure of BACE1 in complex with aminoquinoline compound 1
Descriptor: (2R)-3-[2-amino-6-(3-methylpyridin-2-yl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide, Beta-secretase 1, GLYCEROL, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
5I3X
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BU of 5i3x by Molmil
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 6
Descriptor: Beta-secretase 1, GLYCEROL, N-(1-{3-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]prop-2-yn-1-yl}cyclopropyl)-4-fluorobenzamide
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
5I3W
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BU of 5i3w by Molmil
Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene inhibitor 2
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
5I3Y
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BU of 5i3y by Molmil
Crystal structure of BACE1 in complex with aminoquinoline inhibitor 9
Descriptor: Beta-secretase 1, N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
Authors:Whittington, D.A, Long, A.M.
Deposit date:2016-02-11
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Linking Approach Using (19)F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of beta-Secretase.
J.Med.Chem., 59, 2016
3H0T
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BU of 3h0t by Molmil
Hepcidin-Fab complex
Descriptor: Fab fragment, Heavy chain, Light chain, ...
Authors:Syed, R, Li, V.
Deposit date:2009-04-10
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hepcidin revisited, disulfide connectivity, dynamics, and structure.
J.Biol.Chem., 284, 2009
5IN4
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BU of 5in4 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase bound to a GDP-fucose based inhibitor
Descriptor: GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sickmier, E.A.
Deposit date:2016-03-07
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
5IN5
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BU of 5in5 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
Descriptor: GDP-mannose 4,6 dehydratase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sickmier, E.A.
Deposit date:2016-03-07
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-09-28
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
1NG8
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BU of 1ng8 by Molmil
G15-Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Sham, S.S, Townsley, L.E, Hinton, J.F.
Deposit date:2002-12-17
Release date:2002-12-31
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles
Biochemistry, 42, 2003
1NT6
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BU of 1nt6 by Molmil
F1-Gramicidin C In Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN C
Authors:Townsley, L.E, Fletcher, T.G, Hinton, J.F.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport, and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles.
Biochemistry, 42, 2003
1NT5
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BU of 1nt5 by Molmil
F1-Gramicidin A in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN A
Authors:Townsley, L.E, Fletcher, T.G, Hinton, J.F.
Deposit date:2003-01-28
Release date:2003-02-11
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The Structure, Cation Binding, Transport, and Conductance of Gly15-Gramicidin a Incorporated Into Sds Micelles and Pc/Pg Vesicles.
Biochemistry, 42, 2003

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