2CDB
 
 | | Sulfolobus solfataricus Glucose Dehydrogenase 1 in complex with NADP and glucose | | Descriptor: | 1,2-ETHANEDIOL, GLUCOSE 1-DEHYDROGENASE (DHG-1), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Milburn, C.C, Lamble, H.J, Theodossis, A, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2006-01-23 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Structural Basis of Substrate Promiscuity in Glucose Dehydrogenase from the Hyperthermophilic Archaeon Sulfolobus Solfataricus.
J.Biol.Chem., 281, 2006
|
|
5AH4
 | | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | | Descriptor: | CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION | | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | Deposit date: | 2015-02-04 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.313 Å) | | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
|
|
4YEC
 | |
2ANQ
 | | Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. | | Descriptor: | (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate), Dihydrofolate reductase, MANGANESE (II) ION, ... | | Authors: | Summerfield, R.L, Daigle, D.M, Mayer, S, Jackson, S.G, Organ, M, Hughes, D.W, Brown, E.D, Junop, M.S. | | Deposit date: | 2005-08-11 | | Release date: | 2006-07-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | A 2.13 A Structure of E. coli Dihydrofolate Reductase Bound to a Novel Competitive Inhibitor Reveals a New Binding Surface Involving the M20 Loop Region
J.Med.Chem., 49, 2006
|
|
2CI9
 | | Nck1 SH2-domain in complex with a dodecaphosphopeptide from EPEC protein Tir | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, TRANSLOCATED INTIMIN RECEPTOR | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
|
|
2CDC
 | | Sulfolobus solfataricus Glucose Dehydrogenase 1 in complex with NADP and Xylose | | Descriptor: | 1,2-ETHANEDIOL, GLUCOSE DEHYDROGENASE GLUCOSE 1-DEHYDROGENASE, DHG-1, ... | | Authors: | Milburn, C.C, Lamble, H.J, Theodossis, A, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2006-01-23 | | Release date: | 2006-03-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The structural basis of substrate promiscuity in glucose dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus.
J. Biol. Chem., 281, 2006
|
|
1ZD5
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-heptanoic acid complex | | Descriptor: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | Deposit date: | 2005-04-14 | | Release date: | 2006-03-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
|
|
1YYS
 | | Y305F Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene | | Descriptor: | (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
|
|
1Z3R
 | | Solution structure of the Omsk Hemhorraghic Fever Envelope Protein Domain III | | Descriptor: | polyprotein | | Authors: | Volk, D.E, Chavez, L, Beasley, D.W, Barrett, A.D, Gorenstein, D.G. | | Deposit date: | 2005-03-14 | | Release date: | 2006-03-14 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the envelope protein domain III of Omsk hemorrhagic fever virus.
Virology, 351, 2006
|
|
1ZNC
 | | HUMAN CARBONIC ANHYDRASE IV | | Descriptor: | CARBONIC ANHYDRASE IV, SULFATE ION, ZINC ION | | Authors: | Stams, T, Christianson, D.W. | | Deposit date: | 1996-09-17 | | Release date: | 1997-09-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the secretory form of membrane-associated human carbonic anhydrase IV at 2.8-A resolution.
Proc.Natl.Acad.Sci.USA, 93, 1996
|
|
1ZO0
 | |
5B7Y
 | | Crystal Structure of Hyperthermophilic Thermotoga maritima L-Ketose-3-Epimerase with Co2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, COBALT (II) ION, ... | | Authors: | Cao, T.P, Shin, S.M, Lee, D.W, Lee, S.H. | | Deposit date: | 2016-06-10 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | TM0416, a Hyperthermophilic Promiscuous Nonphosphorylated Sugar Isomerase, Catalyzes Various C5and C6Epimerization Reactions
Appl. Environ. Microbiol., 83, 2017
|
|
2CN0
 | | Complex of Recombinant Human Thrombin with a Designed Inhibitor | | Descriptor: | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE, CALCIUM ION, HIRUDIN IIA, ... | | Authors: | Hoffmann-Roder, A, Schweizer, E, Egger, J, Seiler, P, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | | Deposit date: | 2006-05-17 | | Release date: | 2006-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Mapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket
Chemmedchem, 1, 2006
|
|
1YYU
 | | D100E Trichodiene Synthase: Complex With Mg, Pyrophosphate, and (4S)-7-azabisabolene | | Descriptor: | (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, (1S)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM, 1,2-ETHANEDIOL, ... | | Authors: | Vedula, L.S, Rynkiewicz, M.J, Pyun, H.J, Coates, R.M, Cane, D.E, Christianson, D.W. | | Deposit date: | 2005-02-25 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Molecular Recognition of the Substrate Diphosphate Group Governs Product Diversity in Trichodiene Synthase Mutants.
Biochemistry, 44, 2005
|
|
2B0K
 | | Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex. | | Descriptor: | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2005-09-14 | | Release date: | 2005-11-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
|
|
2CDA
 | | Sulfolobus solfataricus Glucose Dehydrogenase 1 in complex with NADP | | Descriptor: | GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | | Authors: | Milburn, C.C, Lamble, H.J, Theodossis, A, Hough, D.W, Danson, M.J, Taylor, G.L. | | Deposit date: | 2006-01-23 | | Release date: | 2006-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | The Structural Basis of Substrate Promiscuity in Glucose Dehydrogenase from the Hyperthermophilic Archaeon Sulfolobus Solfataricus.
J.Biol.Chem., 281, 2006
|
|
2C6X
 | |
2CF8
 | | Complex of recombinant human thrombin with an inhibitor | | Descriptor: | 4- [(1R,3AS,4R,8AS,8BR)- 2- (4-CHLOROBENZYL)- 1- ISOPROPYL- 3- OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN- 4- YL]BENZENECARBOXIMIDAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | | Authors: | Schweizer, E, Hoffmann-Roeder, A, Olsen, J.A, Obst-Sander, U, Wagner, B, Kansy, M, Banner, D.W, Diederich, F. | | Deposit date: | 2006-02-17 | | Release date: | 2006-06-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Multipolar Interactions in the D Pocket of Thrombin: Large Differences between Tricyclic Imide and Lactam Inhibitors.
Org.Biomol.Chem., 4, 2006
|
|
2CFB
 | | Glutamate-1-semialdehyde 2,1-Aminomutase from Thermosynechococcus elongatus | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE | | Authors: | Schulze, J.O, Schubert, W.-D, Moser, J, Jahn, D, Heinz, D.W. | | Deposit date: | 2006-02-17 | | Release date: | 2006-03-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Evolutionary Relationship between Initial Enzymes of Tetrapyrrole Biosynthesis
J.Mol.Biol., 358, 2006
|
|
2CI8
 | | sh2 domain of human nck1 adaptor protein - uncomplexed | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, PENTAETHYLENE GLYCOL, SULFATE ION | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
|
|
2CFZ
 | | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-dodecanol | | Descriptor: | 1-DODECANOL, DI(HYDROXYETHYL)ETHER, SDS HYDROLASE SDSA1, ... | | Authors: | Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D. | | Deposit date: | 2006-02-26 | | Release date: | 2006-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
2CG2
 | | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with sulfate | | Descriptor: | SDSA1, SULFATE ION, ZINC ION | | Authors: | Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D. | | Deposit date: | 2006-02-27 | | Release date: | 2006-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
2CG3
 | | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa. | | Descriptor: | SDSA1, ZINC ION | | Authors: | Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D. | | Deposit date: | 2006-02-27 | | Release date: | 2006-04-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Third Class of Sulfatases
Proc.Natl.Acad.Sci.USA, 103, 2006
|
|
9CBF
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminomethyl Phenylthioketone | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(aminomethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ... | | Authors: | Goulart Stollmaier, J, Christianson, D.W. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
|
|
9CBI
 | | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminoethyl Phenylthioketone | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, ... | | Authors: | Goulart Stollmaier, J, Christianson, D.W. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
|
|
