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4GDE
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BU of 4gde by Molmil
Crystal structure of NADPH-reduced Aspergillus fumigatus UDP-galactopyranose
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase
Authors:Tanner, J.J, Dhatwalia, R.D, Singh, H.
Deposit date:2012-07-31
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of the NAD(P)H Binding Site of Eukaryotic UDP-Galactopyranose Mutase.
J.Am.Chem.Soc., 134, 2012
3SME
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BU of 3sme by Molmil
Structure of PTP1B inactivated by H2O2/bicarbonate
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Tanner, J.J, Singh, H.
Deposit date:2011-06-27
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Biological Buffer Bicarbonate/CO(2) Potentiates H(2)O(2)-Mediated Inactivation of Protein Tyrosine Phosphatases.
J.Am.Chem.Soc., 133, 2011
4DSH
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BU of 4dsh by Molmil
Crystal structure of reduced UDP-Galactopyranose mutase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2012-02-18
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures of Trypanosoma cruzi UDP-Galactopyranose Mutase Implicate Flexibility of the Histidine Loop in Enzyme Activation.
Biochemistry, 51, 2012
3UTE
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BU of 3ute by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase sulfate complex
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTF
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BU of 3utf by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTG
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BU of 3utg by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with UDP in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UTH
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BU of 3uth by Molmil
Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase complexed with substrate UDP-Galp in reduced state
Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, SULFATE ION, ...
Authors:Dhatwalia, R, Singh, H, Tanner, J.J.
Deposit date:2011-11-25
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
6XRN
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BU of 6xrn by Molmil
Crystal structure of human PI3K-gamma in complex with Compound 17
Descriptor: 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Walker, N.P, Jeffrey, J.L.
Deposit date:2020-07-13
Release date:2021-11-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ).
J.Med.Chem., 65, 2022
6QEB
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BU of 6qeb by Molmil
Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Vasa, S.K.
Deposit date:2019-01-07
Release date:2019-02-06
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew.Chem.Int.Ed.Engl., 58, 2019
6SCW
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BU of 6scw by Molmil
SH3-subunit of chicken alpha spectrin solved by NMR
Descriptor: Spectrin alpha chain, non-erythrocytic 1 isoform X11
Authors:Grohe, K, Hebrank, C, Linser, R.
Deposit date:2019-07-25
Release date:2020-08-12
Last modified:2024-01-31
Method:SOLUTION NMR
Cite:Protein Motional Details Revealed by Complementary Structural Biology Techniques.
Structure, 28, 2020
5T19
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BU of 5t19 by Molmil
Structure of PTP1B complexed with N-(3'-(1,1-dioxido-4-oxo-1,2,5-thiadiazolidin-2-yl)-4'-methyl-[1,1'-biphenyl]-4-yl)acetamide
Descriptor: 5-[4-methyl-4'-(methylamino)[1,1'-biphenyl]-3-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Laciak, A.R, Tanner, J.J.
Deposit date:2016-08-18
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1001 Å)
Cite:Covalent Allosteric Inactivation of Protein Tyrosine Phosphatase 1B (PTP1B) by an Inhibitor-Electrophile Conjugate.
Biochemistry, 56, 2017
5UR2
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BU of 5ur2 by Molmil
Crystal structure of proline utilization A (PutA) from Bdellovibrio bacteriovorus inactivated by N-propargylglycine
Descriptor: Bifunctional protein PutA, N-propargylglycine-modified flavin adenine dinucleotide
Authors:Tanner, J.J.
Deposit date:2017-02-09
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Biophysical investigation of type A PutAs reveals a conserved core oligomeric structure.
FEBS J., 284, 2017
8R1I
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BU of 8r1i by Molmil
Human Carbonic Anhydrase II (hCAII) in complex with (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Descriptor: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Kotschy, J, Gasper, R, Linser, R.
Deposit date:2023-11-02
Release date:2023-12-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Microsecond Timescale Conformational Dynamics of a Small-Molecule Ligand within the Active Site of a Protein.
Angew.Chem.Int.Ed.Engl., 63, 2024
3BVU
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BU of 3bvu by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl(alpha-D-mannopyranosyl)-(1->3)-S-[(alpha-D-mannopyranosyl)-(1->6)]-alpha-D-mannopyranoside
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BUI
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BU of 3bui by Molmil
Golgi mannosidase II D204A catalytic nucleophile mutant complex with Tris
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-02
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVT
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BU of 3bvt by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (alpha-D-mannopyranosyl)-(1->3)-S-alpha-D-mannopyranoside
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BUB
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BU of 3bub by Molmil
Golgi alpha-mannosidase II with an empty active site
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-02
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BUP
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BU of 3bup by Molmil
Golgi alpha-mannosidase II D341N acid-base catalyst mutant with bound mannose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-03
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVW
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BU of 3bvw by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-mannopyranosyl- (1->3)-[ALPHA-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl- (1->6)]-BETA-D-mannopyranoside
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-6-thio-alpha-D-mannopyranose-(1-6)]methyl beta-D-mannopyranoside, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BUQ
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BU of 3buq by Molmil
Golgi alpha-mannosidase II D204A catalytic nucleophile mutant with bound mannose.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-03
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVX
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BU of 3bvx by Molmil
GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with Methyl (2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-(alpha-D-mannopyranosyl)- (1->3)-[(alpha-D-mannopyranosyl)-(1->6)-(alpha-D-mannopyranosyl)-(1->6)]-beta-D-mannopyranoside
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]methyl beta-D-mannopyranoside, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BVV
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BU of 3bvv by Molmil
Golgi mannosidase II D204A catalytic nucleophile mutant complex with METHYL ALPHA-D-MANNOPYRANOSYL-(1->3)-[6-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-07
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3BUD
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BU of 3bud by Molmil
Golgi mannosidase II D204A catalytic nucleophile mutant with an empty active site
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-01-02
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the substrate specificity of Golgi alpha-mannosidase II by use of synthetic oligosaccharides and a catalytic nucleophile mutant.
J.Am.Chem.Soc., 130, 2008
3ELM
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BU of 3elm by Molmil
Crystal Structure of MMP-13 Complexed with Inhibitor 24f
Descriptor: (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Kulathila, R, Monovich, L, Koehn, J.
Deposit date:2008-09-22
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
5CDH
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BU of 5cdh by Molmil
Structure of Legionella pneumophila Histidine Acid Phosphatase complexed with L(+)-tartrate
Descriptor: L(+)-TARTARIC ACID, Major acid phosphatase, PENTAETHYLENE GLYCOL
Authors:Tanner, J.J.
Deposit date:2015-07-04
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure and tartrate inhibition of Legionella pneumophila histidine acid phosphatase.
Arch.Biochem.Biophys., 585, 2015

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