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3LPP
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BU of 3lpp by Molmil
Crystal complex of N-terminal sucrase-isomaltase with kotalanol
Descriptor: (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2010-02-05
Release date:2010-03-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains.
J.Biol.Chem., 285, 2010
4KS1
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BU of 4ks1 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
3LPO
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BU of 3lpo by Molmil
Crystal structure of the N-terminal domain of sucrase-isomaltase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sucrase-isomaltase, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2010-02-05
Release date:2010-03-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains.
J.Biol.Chem., 285, 2010
3T9T
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BU of 3t9t by Molmil
Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline
Descriptor: (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK
Authors:Han, S, Caspers, N.
Deposit date:2011-08-03
Release date:2011-10-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
3JXB
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BU of 3jxb by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*A)-3', 5'-D(*TP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', Repressor protein C2
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions
J.Mol.Biol., 396, 2010
3JXC
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BU of 3jxc by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9T in the presence of Tl+
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*TP*AP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', Repressor protein C2, THALLIUM (I) ION
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions.
J.Mol.Biol., 396, 2010
3JXD
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BU of 3jxd by Molmil
Crystal structure of the P22 c2 repressor protein in complex with synthetic operator 9C in the presence of Rb+
Descriptor: 5'-D(*CP*AP*TP*TP*TP*AP*AP*GP*AP*CP*GP*TP*CP*TP*TP*AP*AP*AP*TP*G)-3', RUBIDIUM ION, Repressor protein C2
Authors:Watkins, D, Koudelka, G.B, Williams, L.D.
Deposit date:2009-09-18
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sequence Recognition of DNA by Protein-Induced Conformational Transitions.
J.Mol.Biol., 396, 2010
6MNY
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BU of 6mny by Molmil
Crystal structure of mouse BTK kinase domain in complex with compound 9a
Descriptor: 5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase
Authors:Han, S, Caspers, N, Ohren, J.O.
Deposit date:2018-10-03
Release date:2019-01-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.
ACS Med Chem Lett, 10, 2019
3L4V
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BU of 3l4v by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with kotalanol
Descriptor: (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3L4Z
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BU of 3l4z by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with Salacinol
Descriptor: 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3L4U
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BU of 3l4u by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol
Descriptor: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3L4Y
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BU of 3l4y by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with NR4-8II
Descriptor: (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3L4W
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BU of 3l4w by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with miglitol
Descriptor: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
4KS3
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BU of 4ks3 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS2
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BU of 4ks2 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS4
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BU of 4ks4 by Molmil
Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS5
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BU of 4ks5 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
2NYA
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BU of 2nya by Molmil
Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM(VI) ION, ...
Authors:Jepson, B.J.N, Richardson, D.J, Hemmings, A.M.
Deposit date:2006-11-20
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Spectropotentiometric and structural analysis of the periplasmic nitrate reductase from Escherichia coli
J.Biol.Chem., 282, 2007
7BY6
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BU of 7by6 by Molmil
Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389
Descriptor: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S.
Deposit date:2020-04-21
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
6ICE
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BU of 6ice by Molmil
Crystal structure of Hamster MIF
Descriptor: Macrophage migration inhibitory factor
Authors:Sundaram, R, Vasudevan, D.
Deposit date:2018-09-05
Release date:2019-09-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Macrophage migration inhibitory factor of Syrian golden hamster shares structural and functional similarity with human counterpart and promotes pancreatic cancer.
Sci Rep, 9, 2019
6XCR
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BU of 6xcr by Molmil
NMR structure of Ost4 in DPC micelles
Descriptor: Oligosaccharyltransferase
Authors:Chaudhary, B.P.
Deposit date:2020-06-09
Release date:2021-02-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
6XCU
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BU of 6xcu by Molmil
NMR structure of Ost4V23D, a critical mutant of Ost4, in DPC micelles
Descriptor: Oligosaccharyltransferase
Authors:Chaudhary, B.P.
Deposit date:2020-06-09
Release date:2021-02-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and MD simulations reveal the impact of the V23D mutation on the function of yeast oligosaccharyltransferase subunit Ost4.
Glycobiology, 31, 2021
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