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1ROZ
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BU of 1roz by Molmil
Deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-12-02
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A New Crystal Structure of Deoxyhypusine Synthase Reveals the Configuration of the Active Enzyme and of an Enzyme-NAD-Inhibitor Ternary Complex
J.Biol.Chem., 279, 2004
6Q0D
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BU of 6q0d by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00384414-01 AT 2.05 A RESOLUTION
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
Authors:Dranow, D.M, Davies, D.R.
Deposit date:2019-08-01
Release date:2020-09-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
1Q5W
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BU of 1q5w by Molmil
Ubiquitin Recognition by Npl4 Zinc-Fingers
Descriptor: Ubiquitin, ZINC ION, homolog of yeast nuclear protein localization 4
Authors:Alam, S.L, Sun, J, Payne, M, Welch, B.D, Blake, B.K, Davis, D.R, Meyer, H.H, Emr, S.D, Sundquist, W.I.
Deposit date:2003-08-11
Release date:2004-03-30
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Ubiquitin interactions of NZF zinc fingers.
Embo J., 23, 2004
2TYS
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BU of 2tys by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
Descriptor: SODIUM ION, TRYPTOPHAN SYNTHASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
Authors:Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1997-01-08
Release date:1997-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TSY
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BU of 2tsy by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
Descriptor: SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
Authors:Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1997-01-03
Release date:1997-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
2TRS
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BU of 2trs by Molmil
CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES
Descriptor: INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ...
Authors:Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1997-01-07
Release date:1997-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
1YRF
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BU of 1yrf by Molmil
Chicken villin subdomain HP-35, N68H, pH6.7
Descriptor: ACETATE ION, SULFATE ION, Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-03
Release date:2005-05-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1YQV
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BU of 1yqv by Molmil
The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution
Descriptor: Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain
Authors:Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R.
Deposit date:2005-02-02
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry.
Acta Crystallogr.,Sect.D, 61, 2005
1YRI
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BU of 1yri by Molmil
Chicken villin subdomain HP-35, N68H, pH6.4
Descriptor: ACETATE ION, IODIDE ION, Villin
Authors:Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R.
Deposit date:2005-02-03
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1 Å)
Cite:High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A0Z
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BU of 2a0z by Molmil
The molecular structure of toll-like receptor 3 ligand binding domain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2005-06-17
Release date:2005-08-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular structure of the Toll-like receptor 3 ligand-binding domain
Proc.Natl.Acad.Sci.USA, 102, 2005
1ZYM
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BU of 1zym by Molmil
AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI
Descriptor: ENZYME I
Authors:Liao, D.-I, Davies, D.R.
Deposit date:1996-05-21
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr.
Structure, 4, 1996
3CIG
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BU of 3cig by Molmil
Crystal structure of mouse TLR3 ectodomain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2008-03-11
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
2C4Y
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BU of 2c4y by Molmil
MS2-RNA HAIRPIN (2THIOURACIL-5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *SUR*AP*CP*CP*CP*AP*UP*GP*U)-3', Capsid protein
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-10-25
Release date:2006-01-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
3CIY
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BU of 3ciy by Molmil
Mouse Toll-like receptor 3 ectodomain complexed with double-stranded RNA
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2008-03-12
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
2C4Z
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BU of 2c4z by Molmil
MS2-RNA HAIRPIN (2SU -5-6) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*SUR *SUR*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-10-25
Release date:2006-01-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
2C50
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BU of 2c50 by Molmil
MS2-RNA HAIRPIN (A -5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *AP*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-10-25
Release date:2006-01-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
2C4Q
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BU of 2c4q by Molmil
MS2-RNA HAIRPIN (2ONE -5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *PYO*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-10-21
Release date:2005-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
2C51
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BU of 2c51 by Molmil
MS2-RNA HAIRPIN (G -5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *GP*AP*CP*CP*CP*AP*UP*GP*U)-3', COAT PROTEIN
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-10-25
Release date:2006-01-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
2BU1
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BU of 2bu1 by Molmil
MS2-RNA HAIRPIN (5BRU -5) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*AP*GP*GP*AP*UP *5BU*AP*CP*CP*CP*AP*UP*GP*U)-3', MS2 COAT PROTEIN
Authors:Grahn, E, Moss, T, Helgstrand, C, Fridborg, K, Sundaram, M, Tars, K, Lago, H, Stonehouse, N.J, Davis, D.R, Stockley, P.G, Liljas, L.
Deposit date:2005-06-08
Release date:2005-08-18
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of pyrimidine specificity in the MS2 RNA hairpin-coat-protein complex.
Rna, 7, 2001
3FH7
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BU of 3fh7 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate.
Descriptor: 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}pyrrolidin-1-yl]butanoate, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH5
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BU of 3fh5 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
Descriptor: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-08
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
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BU of 3fh8 by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
Descriptor: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
2IFF
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BU of 2iff by Molmil
STRUCTURE OF AN ANTIBODY-LYSOZYME COMPLEX: EFFECT OF A CONSERVATIVE MUTATION
Descriptor: HEN EGG WHITE LYSOZYME, IGG1 HYHEL-5 FAB (HEAVY CHAIN), IGG1 HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1994-02-03
Release date:1994-05-31
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of an antibody-lysozyme complex unexpected effect of conservative mutation.
J.Mol.Biol., 245, 1995
4NPC
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BU of 4npc by Molmil
Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
Descriptor: ACETATE ION, Sorbitol dehydrogenase
Authors:Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-11-21
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis
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