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4PDZ
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BU of 4pdz by Molmil
Crystal Structure of Calcium-loaded S100B bound to SBi4172
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, Protein S100-B
Authors:Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
Deposit date:2014-04-22
Release date:2014-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
4PE4
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BU of 4pe4 by Molmil
Crystal Structure of Calcium-loaded S100B bound to SC1475
Descriptor: 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, Protein S100-B
Authors:Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J.
Deposit date:2014-04-22
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.178 Å)
Cite:Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
3TLB
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BU of 3tlb by Molmil
Microcin C7 self immunity protein MccF in complex aspartyl sulfamoyl adenosine
Descriptor: 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, MccF
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structure and function of a serine carboxypeptidase adapted for degradation of the protein synthesis antibiotic microcin C7.
Proc.Natl.Acad.Sci.USA, 109, 2012
4CYE
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BU of 4cye by Molmil
Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A
Descriptor: FOCAL ADHESION KINASE 1
Authors:Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
Deposit date:2014-04-10
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
4CWB
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BU of 4cwb by Molmil
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP and an inhibitor
Descriptor: 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurin-6-one, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Swarbrick, J.D, Peat, T.S.
Deposit date:2014-04-02
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
4CYU
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BU of 4cyu by Molmil
Staphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase in complex with AMPCPP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN-PYROPHOSPHOKINASE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Dennis, M.L, Swarbrick, J.D, Peat, T.S.
Deposit date:2014-04-15
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
J.Med.Chem., 57, 2014
4E5D
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BU of 4e5d by Molmil
2.2A resolution structure of a firefly luciferase-benzothiazole inhibitor complex
Descriptor: 2-(2-fluorophenyl)-6-methoxy-1,3-benzothiazole, Luciferin 4-monooxygenase
Authors:Lovell, S, Battaile, K.P, Throne, N, Shen, M, Auld, D.S, Inglese, J.
Deposit date:2012-03-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter.
Chem.Biol., 19, 2012
2CM6
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BU of 2cm6 by Molmil
crystal structure of the C2B domain of rabphilin3A
Descriptor: CALCIUM ION, PHOSPHATE ION, RABPHILIN-3A
Authors:Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S.
Deposit date:2006-05-04
Release date:2006-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007
3G7X
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BU of 3g7x by Molmil
Female-specific histamine-binding protein 2, D24R mutant
Descriptor: Female-specific histamine-binding protein 2, GLYCEROL, HISTAMINE
Authors:Dennis, C.A, Homans, S.W.
Deposit date:2009-02-11
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Entropic contributions to binding in a 'Hydrophilic' Ligand-Protein Interaction
To be Published
3GAQ
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BU of 3gaq by Molmil
Female-specific Histamine-Binding Protein, D24R Mutant
Descriptor: Female-specific histamine-binding protein 2
Authors:Dennis, C.A, Homans, S.W.
Deposit date:2009-02-18
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Entropic contributions to binding in a 'Hydrophilic' Ligand-Protein Interaction
To be Published
2CM5
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BU of 2cm5 by Molmil
crystal structure of the C2B domain of rabphilin
Descriptor: CALCIUM ION, RABPHILIN-3A
Authors:Schlicker, C, Montaville, P, Sheldrick, G.M, Becker, S.
Deposit date:2006-05-04
Release date:2006-12-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The C2A-C2B Linker Defines the High Affinity Ca2+ Binding Mode of Rabphilin-3A.
J.Biol.Chem., 282, 2007

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