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2NAU
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BU of 2nau by Molmil
Solution structure of KYE28A in lipopolysachharide
Descriptor: entity
Authors:Bhunia, A, Malmsten, M, Datta, A.
Deposit date:2016-01-11
Release date:2016-05-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Role of Aromatic Amino Acids in Lipopolysaccharide and Membrane Interactions of Antimicrobial Peptides for Use in Plant Disease Control.
J. Biol. Chem., 291, 2016
3FEA
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BU of 3fea by Molmil
Crystal Structure of HdmX bound to the p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2 at 1.33A
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Mdm4 protein, p53-peptidomimetic Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2
Authors:Kallen, J.
Deposit date:2008-11-28
Release date:2009-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal Structures of Human MdmX (HdmX) in Complex with p53 Peptide Analogues Reveal Surprising Conformational Changes
J.Biol.Chem., 284, 2009
6CCN
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BU of 6ccn by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide
Descriptor: (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CCL
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BU of 6ccl by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine
Descriptor: 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:Mamo, M, Appleton, B.A.
Deposit date:2018-02-07
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6ECR
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BU of 6ecr by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, methylenetetrahydrofolate dehydrogenase cyclohydrolase
Authors:Bueno, R.V, Dawson, A, Hunter, W.N.
Deposit date:2018-08-08
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6ECP
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BU of 6ecp by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543
Descriptor: Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bueno, R.V, Dawson, A, Hunter, W.N.
Deposit date:2018-08-08
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6ECQ
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BU of 6ecq by Molmil
The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899
Descriptor: METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bueno, R.V, Dawson, A, Hunter, W.N.
Deposit date:2018-08-08
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement.
Acta Crystallogr F Struct Biol Commun, 75, 2019
2PJL
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BU of 2pjl by Molmil
Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism
Descriptor: 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-1H-INDOL-3-YL]METHYL}METHANAMINE, Steroid hormone receptor ERR1
Authors:Kallen, J.
Deposit date:2007-04-16
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.
J.Biol.Chem., 282, 2007
2NCU
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BU of 2ncu by Molmil
NMR structure of KYE21 in LPS micelles
Descriptor: Heparin cofactor 2
Authors:Datta, A, Bhunia, A, Malmsten, M.
Deposit date:2016-04-18
Release date:2017-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
2NCW
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BU of 2ncw by Molmil
NMR structure of WWWKYE21 structure in LPS micelles
Descriptor: Heparin cofactor 2
Authors:Datta, A, Bhunia, A.
Deposit date:2016-04-18
Release date:2017-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Tryptophan end-tagging for promoted lipopolysaccharide interactions and anti-inflammatory effects.
Sci Rep, 7, 2017
3H0D
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BU of 3h0d by Molmil
Crystal structure of CtsR in complex with a 26bp DNA duplex
Descriptor: CtsR, DNA (26-MER), PHOSPHATE ION
Authors:Clausen, T, Fuhrmann, J.
Deposit date:2009-04-09
Release date:2009-06-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:McsB is a protein arginine kinase that phosphorylates and inhibits the heat-shock regulator CtsR
Science, 324, 2009
2ILL
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BU of 2ill by Molmil
Anomalous substructure of Titin-A168169
Descriptor: CHLORIDE ION, Titin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-10-03
Release date:2007-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2G4O
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BU of 2g4o by Molmil
anomalous substructure of 3-ISOPROPYLMALATE DEHYDROGENASE
Descriptor: 3-isopropylmalate dehydrogenase, CHLORIDE ION, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4S
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BU of 2g4s by Molmil
Anomalous substructure of NBR1PB1
Descriptor: ACETIC ACID, CHLORIDE ION, Next to BRCA1 gene 1 protein
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4W
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BU of 2g4w by Molmil
anomalous substructure of ribonuclease A (C2)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G55
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BU of 2g55 by Molmil
Anomalous substructure of trypsin (P3121)
Descriptor: CALCIUM ION, CHLORIDE ION, Cationic trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4R
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BU of 2g4r by Molmil
anomalous substructure of MogA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, molybdopterin biosynthesis Mog protein
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4V
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BU of 2g4v by Molmil
anomalous substructure of proteinase K
Descriptor: CALCIUM ION, CHLORIDE ION, POTASSIUM ION, ...
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G51
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BU of 2g51 by Molmil
anomalous substructure of trypsin (p1)
Descriptor: CHLORIDE ION, Trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4I
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BU of 2g4i by Molmil
Anomalous substructure of Concanavalin A
Descriptor: CALCIUM ION, CHLORIDE ION, Concanavalin A, ...
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4X
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BU of 2g4x by Molmil
Anomalous substructure od ribonuclease A (P3221)
Descriptor: CHLORIDE ION, SULFATE ION, ribonuclease pancreatic
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G52
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BU of 2g52 by Molmil
Anomalous substructure of trypsin (P21)
Descriptor: SULFATE ION, Trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4M
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BU of 2g4m by Molmil
Insulin collected at 2.0 A wavelength
Descriptor: Insulin A chain, Insulin B chain
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4J
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BU of 2g4j by Molmil
Anomalous substructure of Glucose isomerase
Descriptor: CALCIUM ION, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G4Q
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BU of 2g4q by Molmil
Anomalous substructure of lysozyme at pH 8.0
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007

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