4APR
 
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1BIS
 | | HIV-1 INTEGRASE CORE DOMAIN | | Descriptor: | HIV-1 INTEGRASE | | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | | Deposit date: | 1998-06-19 | | Release date: | 1998-08-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1AER
 | | DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH BETA-TAD | | Descriptor: | 2-(1,5-DIDEOXYRIBOSE)-4-AMIDO-THIAZOLE, ADENOSINE MONOPHOSPHATE, BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE, ... | | Authors: | Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.R. | | Deposit date: | 1995-12-11 | | Release date: | 1996-06-10 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the catalytic domain of Pseudomonas exotoxin A complexed with a nicotinamide adenine dinucleotide analog: implications for the activation process and for ADP ribosylation
Proc.Natl.Acad.Sci.USA, 93, 1996
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6OP0
 | | 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
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1TTQ
 | | 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
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1TTP
 | | 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
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1BIZ
 | | HIV-1 INTEGRASE CORE DOMAIN | | Descriptor: | CACODYLATE ION, HIV-1 INTEGRASE | | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | | Deposit date: | 1998-06-21 | | Release date: | 1998-08-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1BIU
 | | HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++ | | Descriptor: | HIV-1 INTEGRASE, MAGNESIUM ION | | Authors: | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | | Deposit date: | 1998-06-19 | | Release date: | 1998-08-19 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium.
Proc.Natl.Acad.Sci.USA, 95, 1998
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1D3R
 | | CRYSTAL STRUCTURE OF TRIPLEX DNA | | Descriptor: | DNA (5'-D(*CP*(BRU)P*CP*CP*(BRU)P*CP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*CP*GP*GP*AP*G)-3') | | Authors: | Rhee, S, Han, Z.-J, Liu, K, Todd Miles, H.T, Davies, D.R. | | Deposit date: | 1999-09-30 | | Release date: | 2000-01-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of a triple helical DNA with a triplex-duplex junction.
Biochemistry, 38, 1999
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1UBS
 | | 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
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2IFF
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4NPC
 | | 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
To be Published
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1RLZ
 | | 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
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1ROZ
 | | 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
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1RQD
 | | 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
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6VC8
 | | Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion | | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K. | | Deposit date: | 2019-12-20 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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1BEU
 | | TRP SYNTHASE (D60N-IPP-SER) WITH K+ | | Descriptor: | INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ... | | Authors: | Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R. | | Deposit date: | 1998-05-18 | | Release date: | 1998-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60.
Biochemistry, 37, 1998
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6Q0D
 | | 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
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1A5A
 | | CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHAD60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 | | Descriptor: | POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, TRYPTOPHAN SYNTHASE (ALPHA CHAIN), ... | | Authors: | Rhee, S, Miles, E.W, Davies, D.R. | | Deposit date: | 1998-02-12 | | Release date: | 1998-05-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
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1A30
 | | HIV-1 PROTEASE COMPLEXED WITH A TRIPEPTIDE INHIBITOR | | Descriptor: | HIV-1 PROTEASE, TRIPEPTIDE GLU-ASP-LEU | | Authors: | Louis, J.M, Dyda, F, Nashed, N.T, Kimmel, A.R, Davies, D.R. | | Deposit date: | 1998-01-27 | | Release date: | 1998-04-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophilic peptides derived from the transframe region of Gag-Pol inhibit the HIV-1 protease.
Biochemistry, 37, 1998
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1A5B
 | | CRYO-CRYSTALLOGRAPHY OF A TRUE SUBSTRATE, INDOLE-3-GLYCEROL PHOSPHATE, BOUND TO A MUTANT (ALPHA D60N) TRYPTOPHAN SYNTHASE ALPHA2BETA2 COMPLEX REVEALS THE CORRECT ORIENTATION OF ACTIVE SITE ALPHA GLU 49 | | Descriptor: | INDOLE-3-GLYCEROL PHOSPHATE, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Rhee, S, Miles, E.W, Davies, D.R. | | Deposit date: | 1998-02-12 | | Release date: | 1998-05-27 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
J.Biol.Chem., 273, 1998
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1CI4
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2TGI
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3FH7
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3CIY
 | | 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
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