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1GUO
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BU of 1guo by Molmil
MopII from Clostridium pasteurianum complexed with molybdate
Descriptor: MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
1GUG
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BU of 1gug by Molmil
MopII from Clostridium pasteurianum complexed with tungstate
Descriptor: CHLORIDE ION, MOLYBDATE BINDING PROTEIN II, SODIUM ION, ...
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-25
Release date:2002-02-08
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
1GUN
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BU of 1gun by Molmil
MopII from Clostridium pasteurianum complexed with molybdate (partial)
Descriptor: CALCIUM ION, MOLYBDATE BINDING PROTEIN II, MOLYBDATE ION
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
1GUS
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BU of 1gus by Molmil
MopII from Clostridium pasteurianum (apo1)
Descriptor: CHLORIDE ION, MAGNESIUM ION, MOLYBDATE BINDING PROTEIN II
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
1GUT
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BU of 1gut by Molmil
MopII from Clostridium pasteurianum (apo2)
Descriptor: CHLORIDE ION, MAGNESIUM ION, MOLYBDATE BINDING PROTEIN II
Authors:Schuettelkopf, A.W, Harrison, J.A, Hunter, W.N.
Deposit date:2002-01-28
Release date:2002-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Passive Acquisition of Ligand by the Mopii Molbindin from Clostridium Pasteurianum: Structures of Apo and Oxyanion-Bound Forms
J.Biol.Chem., 277, 2002
2BFP
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BU of 2bfp by Molmil
Leishmania major pteridine reductase 1 in complex with NADP and tetrahydrobiopterin
Descriptor: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2004-12-10
Release date:2005-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2BFO
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BU of 2bfo by Molmil
Leishmania major pteridine reductase 1 in complex with NADPH
Descriptor: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2004-12-10
Release date:2005-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2BF7
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BU of 2bf7 by Molmil
Leishmania major pteridine reductase 1 in complex with NADP and biopterin
Descriptor: 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2004-12-06
Release date:2005-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2BFA
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BU of 2bfa by Molmil
Leishmania major pteridine reductase 1 in complex with NADP and CB3717
Descriptor: 1,2-ETHANEDIOL, 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2004-12-06
Release date:2005-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
2BFM
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BU of 2bfm by Molmil
Leishmania major pteridine reductase 1 in complex with NADP and trimethoprim
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1, TRIMETHOPRIM
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2004-12-09
Release date:2005-08-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Leishmania Major Pteridine Reductase Complexes Reveal the Active Site Features Important for Ligand Binding and to Guide Inhibitor Design
J.Mol.Biol., 352, 2005
1E92
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BU of 1e92 by Molmil
Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin
Descriptor: 1,2-ETHANEDIOL, 7,8-DIHYDROBIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schuettelkopf, A.W, Hunter, W.N.
Deposit date:2000-10-04
Release date:2001-10-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites
Nat.Struct.Biol., 8, 2001
4TXE
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BU of 4txe by Molmil
ScCTS1 in complex with compound 5
Descriptor: (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2014-07-03
Release date:2014-08-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
4AP0
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BU of 4ap0 by Molmil
The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ISPINESIB MESILATE, ...
Authors:Schuettelkopf, A.W, Talapatra, S.K, Kozielski, F.
Deposit date:2012-03-30
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:The Structure of the Ternary Eg5-Adp-Ispinesib Complex
Acta Crystallogr.,Sect.D, 68, 2012
2XVP
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BU of 2xvp by Molmil
ChiA1 from Aspergillus fumigatus, apostructure
Descriptor: CLASS III CHITINASE CHIA1, PHOSPHATE ION
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2010-10-27
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
3ZF8
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BU of 3zf8 by Molmil
Crystal structure of Saccharomyces cerevisiae Mnn9 in complex with GDP and Mn.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, MANNAN POLYMERASE COMPLEXES SUBUNIT MNN9
Authors:Striebeck, A, Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2012-12-10
Release date:2013-09-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Yeast Mnn9 is Both a Priming Glycosyltransferase and an Allosteric Activator of Mannan Biosynthesis.
Open Biol., 3, 2013
4AY5
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BU of 4ay5 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY6
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BU of 4ay6 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
Descriptor: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
5OTE
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BU of 5ote by Molmil
MRCK beta in complex with BDP-00008900
Descriptor: 1,2-ETHANEDIOL, 2-[4-[(6~{S})-1,8-diazaspiro[5.5]undecan-8-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2017-08-21
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
5OTF
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BU of 5otf by Molmil
MRCK beta in complex with BDP-00009066
Descriptor: (6~{S})-8-(3-pyrimidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2017-08-21
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent and Selective MRCK Inhibitors with Therapeutic Effect on Skin Cancer.
Cancer Res., 78, 2018
2JLB
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BU of 2jlb by Molmil
Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
Descriptor: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
4UAL
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BU of 4ual by Molmil
MRCK beta in complex with BDP00005290
Descriptor: 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2014-08-10
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
4UAK
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BU of 4uak by Molmil
MRCK beta in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2014-08-10
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
2VSY
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BU of 2vsy by Molmil
Xanthomonas campestris putative OGT (XCC0866), apostructure
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-05-01
Release date:2008-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
2W61
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BU of 2w61 by Molmil
Saccharomyces cerevisiae Gas2p apostructure (E176Q mutant)
Descriptor: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
Authors:Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W63
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BU of 2w63 by Molmil
SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
Descriptor: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Schuettelkopf, A.W, Hurtado-Guerrero, R, Van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009

 

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