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3CHE
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BU of 3che by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
Descriptor: Chitinase, Peptide inhibitor, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHC
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BU of 3chc by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide
Descriptor: (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide, Chitinase, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CH9
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BU of 3ch9 by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea
Descriptor: 1-methyl-3-(N-methylcarbamimidoyl)urea, Chitinase, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHF
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BU of 3chf by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tetrapeptide
Descriptor: Argifin, Chitinase, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHD
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BU of 3chd by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide
Descriptor: (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid, Chitinase, SULFATE ION
Authors:Andersen, O.A, van Aalten, D.M.F.
Deposit date:2008-03-09
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
2WEY
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BU of 2wey by Molmil
Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE, ...
Authors:Andersen, O.A, Schonfeld, D.L, Toogood-Johnson, I, Felicetti, B, Albrecht, C, Fryatt, T, Whittaker, M, Hallett, D, Barker, J.
Deposit date:2009-04-02
Release date:2009-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Cross-Linking of Protein Crystals as an Aid in the Generation of Binary Protein-Ligand Crystal Complexes, Exemplified by the Human Pde10A-Papaverine Structure.
Acta Crystallogr.,Sect.D, 65, 2009
1J8T
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BU of 1j8t by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase Fe(II)
Descriptor: FE (II) ION, PHENYLALANINE-4-HYDROXYLASE
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2001-05-22
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High resolution crystal structures of the catalytic domain of human phenylalanine hydroxylase in its catalytically active Fe(II) form and binary complex with tetrahydrobiopterin.
J.Mol.Biol., 314, 2001
1J8U
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BU of 1j8u by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase Fe(II) in Complex with Tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, FE (II) ION, PHENYLALANINE-4-HYDROXYLASE
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2001-05-22
Release date:2002-05-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution crystal structures of the catalytic domain of human phenylalanine hydroxylase in its catalytically active Fe(II) form and binary complex with tetrahydrobiopterin.
J.Mol.Biol., 314, 2001
1KW0
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BU of 1kw0 by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-01-28
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
1MMK
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BU of 1mmk by Molmil
Crystal structure of ternary complex of the catalytic domain of human phenylalanine hydroxylase ((FeII)) complexed with tetrahydrobiopterin and thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-09-04
Release date:2003-09-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0A resolution crystal structures of the ternary complexes of human phenylalanine hydroxylase catalytic domain with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine or L-norleucine: substrate specificity and molecular motions related to substrate binding
J.Mol.Biol., 333, 2003
1MMT
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BU of 1mmt by Molmil
Crystal structure of ternary complex of the catalytic domain of human phenylalanine hydroxylase (Fe(II)) complexed with tetrahydrobiopterin and norleucine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, FE (II) ION, NORLEUCINE, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-09-04
Release date:2003-09-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0A resolution crystal structures of the ternary complexes of human phenylalanine hydroxylase catalytic domain with tetrahydrobiopterin and 3-(2-thienyl)-L-alanine or L-norleucine: substrate specificity and molecular motions related to substrate binding
J.Mol.Biol., 333, 2003
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CPH
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BU of 5cph by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-21
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTW
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BU of 5ctw by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTY
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BU of 5cty by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
2YBU
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BU of 2ybu by Molmil
Crystal structure of human acidic chitinase in complex with bisdionin F
Descriptor: 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL
Authors:Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
Deposit date:2011-03-10
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
2YBT
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BU of 2ybt by Molmil
Crystal structure of human acidic chitinase in complex with bisdionin C
Descriptor: 1,1'-PROPANE-1,3-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE), ACIDIC MAMMALIAN CHITINASE, GLYCEROL
Authors:Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
Deposit date:2011-03-10
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
2A3A
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BU of 2a3a by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline
Descriptor: SULFATE ION, THEOPHYLLINE, chitinase
Authors:Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
Deposit date:2005-06-24
Release date:2005-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3C
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BU of 2a3c by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline
Descriptor: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase
Authors:Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
Deposit date:2005-06-24
Release date:2005-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3E
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BU of 2a3e by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin
Descriptor: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ...
Authors:Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
Deposit date:2005-06-24
Release date:2005-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3B
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Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine
Descriptor: CAFFEINE, SULFATE ION, chitinase
Authors:Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
Deposit date:2005-06-24
Release date:2005-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2BTC
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BU of 2btc by Molmil
BOVINE TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)
Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
Authors:Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
Deposit date:1998-12-11
Release date:2000-01-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
2STB
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BU of 2stb by Molmil
ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA PEPO TRYPSIN INHIBITOR II)
Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
Authors:Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
Deposit date:1998-12-11
Release date:2000-01-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999
2STA
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BU of 2sta by Molmil
ANIONIC SALMON TRYPSIN IN COMPLEX WITH SQUASH SEED INHIBITOR (CUCURBITA MAXIMA TRYPSIN INHIBITOR I)
Descriptor: CALCIUM ION, PROTEIN (TRYPSIN INHIBITOR), PROTEIN (TRYPSIN)
Authors:Helland, R, Berglund, G.I, Otlewski, J, Apostoluk, W, Andersen, O.A, Willassen, N.P, Smalas, A.O.
Deposit date:1998-12-10
Release date:2000-01-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of three new trypsin-squash-inhibitor complexes: a detailed comparison with other trypsins and their complexes.
Acta Crystallogr.,Sect.D, 55, 1999

 

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