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PDB: 160 results

3FH7
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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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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
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
6OP0
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BU of 6op0 by Molmil
Asymmetric hTNF-alpha
Descriptor: (R)-{1-[(2,5-dimethylphenyl)methyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-2-yl}(pyridin-4-yl)methanol, Tumor necrosis factor
Authors:Arakaki, T.L, Edwards, T.E, Fairman, J.W, Davies, D.R, Foley, A, Ceska, T.
Deposit date:2019-04-23
Release date:2019-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Small molecules that inhibit TNF signalling by stabilising an asymmetric form of the trimer.
Nat Commun, 10, 2019
4APR
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BU of 4apr by Molmil
STRUCTURES OF COMPLEXES OF RHIZOPUSPEPSIN WITH PEPSTATIN AND OTHER STATINE-CONTAINING INHIBITORS
Descriptor: PEPSTATIN-LIKE RENIN INHIBITOR, RHIZOPUSPEPSIN
Authors:Suguna, K, Davies, D.R.
Deposit date:1989-08-03
Release date:1991-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of complexes of rhizopuspepsin with pepstatin and other statine-containing inhibitors.
Proteins, 13, 1992
1TTQ
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BU of 1ttq by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF POTASSIUM AT ROOM TEMPERATURE
Descriptor: POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
1TTP
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BU of 1ttp by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) IN THE PRESENCE OF CESIUM, ROOM TEMPERATURE
Descriptor: CESIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE
Authors:Rhee, S, Parris, K, Ahmed, S, Miles, E.W, Davies, D.R.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exchange of K+ or Cs+ for Na+ induces local and long-range changes in the three-dimensional structure of the tryptophan synthase alpha2beta2 complex.
Biochemistry, 35, 1996
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
1RQD
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BU of 1rqd by Molmil
deoxyhypusine synthase holoenzyme in its low ionic strength, high pH crystal form with the inhibitor GC7 bound in the active site
Descriptor: 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-12-04
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 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
1UBS
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BU of 1ubs by Molmil
TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE
Descriptor: PYRIDOXAL-5'-PHOSPHATE, SERINE, SODIUM ION, ...
Authors:Rhee, S, Parris, K, Ahmed, S.A, Miles, E.W, Davies, D.R.
Deposit date:1995-12-14
Release date:1996-03-08
Last modified:2024-02-14
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
1RLZ
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BU of 1rlz by Molmil
Deoxyhypusine synthase holoenzyme in its high ionic strength, low pH crystal form
Descriptor: Deoxyhypusine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Umland, T.C, Wolff, E.C, Park, M.-H, Davies, D.R.
Deposit date:2003-11-26
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.15 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
2F4K
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BU of 2f4k by Molmil
Chicken villin subdomain HP-35, K65(NLE), N68H, K70(NLE), PH9
Descriptor: Villin-1
Authors:Chiu, T.K, Davies, D.R, Kubelka, J, Hofrichter, J, Eaton, W.A.
Deposit date:2005-11-23
Release date:2006-04-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Sub-microsecond Protein Folding.
J.Mol.Biol., 359, 2006
1GK5
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BU of 1gk5 by Molmil
Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor
Descriptor: Pro-epidermal growth factor,Protransforming growth factor alpha
Authors:Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L.
Deposit date:2001-08-08
Release date:2002-08-08
Last modified:2018-03-28
Method:SOLUTION NMR
Cite:Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
1DMA
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BU of 1dma by Molmil
DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH NICOTINAMIDE AND AMP
Descriptor: ADENOSINE MONOPHOSPHATE, EXOTOXIN A, NICOTINAMIDE
Authors:Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.
Deposit date:1995-04-28
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.
Proc.Natl.Acad.Sci.USA, 92, 1995
4BUL
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BU of 4bul by Molmil
Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
Descriptor: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
Authors:Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
Deposit date:2013-06-20
Release date:2013-08-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
2TGI
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BU of 2tgi by Molmil
CRYSTAL STRUCTURE OF TRANSFORMING GROWTH FACTOR-BETA2: AN UNUSUAL FOLD FOR THE SUPERFAMILY
Descriptor: TRANSFORMING GROWTH FACTOR ,BETA 2
Authors:Daopin, S, Davies, D.R.
Deposit date:1993-10-20
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of transforming growth factor-beta 2: an unusual fold for the superfamily.
Science, 257, 1992
1DHS
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BU of 1dhs by Molmil
CRYSTAL STRUCTURE OF THE NAD COMPLEX OF HUMAN DEOXYHYPUSINE SYNTHASE
Descriptor: DEOXYHYPUSINE SYNTHASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Liao, D.-I, Davies, D.R.
Deposit date:1997-10-28
Release date:1998-02-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the NAD complex of human deoxyhypusine synthase: an enzyme with a ball-and-chain mechanism for blocking the active site.
Structure, 6, 1998
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
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
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
3T0Q
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BU of 3t0q by Molmil
Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ...
Authors:Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S.
Deposit date:2011-07-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
7UE1
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BU of 7ue1 by Molmil
HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142
Descriptor: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION
Authors:Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H.
Deposit date:2022-03-21
Release date:2023-03-22
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants.
Sci Adv, 9, 2023
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:2024-05-22
Method:SOLUTION NMR
Cite:Ubiquitin interactions of NZF zinc fingers.
Embo J., 23, 2004

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