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4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
Descriptor: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4FNF
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BU of 4fnf by Molmil
LT-IIB-B5 S74D mutant
Descriptor: ACETATE ION, Heat-labile enterotoxin IIB, B chain
Authors:Cody, V.
Deposit date:2012-06-19
Release date:2012-11-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding.
Acta Crystallogr.,Sect.D, 68, 2012
1F40
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BU of 1f40 by Molmil
SOLUTION STRUCTURE OF FKBP12 COMPLEXED WITH GPI-1046, A NEUROTROPHIC LIGAND
Descriptor: (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE, FK506 BINDING PROTEIN (FKBP12)
Authors:Sich, C, Improta, S, Cowley, D.J, Guenet, C, Merly, J.P, Teufel, M, Saudek, V.
Deposit date:2000-06-07
Release date:2000-11-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of a neurotrophic ligand bound to FKBP12 and its effects on protein dynamics.
Eur.J.Biochem., 267, 2000
7UQL
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BU of 7uql by Molmil
Pathogenesis related 10-10 app from
Descriptor: Pathogenesis Related 10-10 protein
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7VSQ
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BU of 7vsq by Molmil
Crystal strcuture of the tandem B-Box domains of CONSTANS
Descriptor: ZINC ION, Zinc finger protein CONSTANS
Authors:Liu, R, Lv, X, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7VSP
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BU of 7vsp by Molmil
Crystal strcuture of the tandem B-Box domains of COL2
Descriptor: ZINC ION, Zinc finger protein CONSTANS-LIKE 2
Authors:Lv, X, Liu, R, Du, J.
Deposit date:2021-10-27
Release date:2022-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
7UQO
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BU of 7uqo by Molmil
Pathogenesis related 10-10 (S)-tetrahydropapaverine complex
Descriptor: (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pathogenesis Related 10-10 protein
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7UQN
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BU of 7uqn by Molmil
Pathogenesis related 10-10 noscapine complex
Descriptor: Pathogenesis Related 10-10 protein, noscapine
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
7UQM
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BU of 7uqm by Molmil
Pathogenesis related 10-10 papaverine complex
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis Related 10-10 protein
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2022-04-19
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alkaloid binding to opium poppy major latex proteins triggers structural modification and functional aggregation.
Nat Commun, 13, 2022
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