1PND
 
 | |
4NRC
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
|
|
5FTH
 | |
6DAA
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
|
|
6DAJ
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLUTAMINE, GLYCEROL, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
|
|
5FFL
 | |
6DAB
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
|
|
6DAL
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, GLYCEROL, Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide, ... | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
|
|
6DRA
 | | Low IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor | | Descriptor: | CALCIUM ION, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | | Authors: | Hite, R.K, Paknejad, N. | | Deposit date: | 2018-06-11 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
|
|
2GJD
 | | Distinct functional domains of Ubc9 dictate cell survival and resistance to genotoxic stress | | Descriptor: | Ubiquitin-conjugating enzyme E2-18 kDa | | Authors: | van Waardenburg, R.C, Duda, D.M, Lancaster, C.S, Schulman, B.A, Bjornsti, M.A. | | Deposit date: | 2006-03-30 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Distinct functional domains of ubc9 dictate cell survival and resistance to genotoxic stress.
Mol.Cell.Biol., 26, 2006
|
|
6DAC
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
|
|
3MH8
 | |
3UG2
 | | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with gefitinib | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib | | Authors: | Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S. | | Deposit date: | 2011-11-02 | | Release date: | 2012-03-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 32, 2013
|
|
4FF6
 | | Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form | | Descriptor: | 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Batt, S.M, Besra, G.S, Futterer, K. | | Deposit date: | 2012-05-31 | | Release date: | 2012-07-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
403D
 | | 5'-D(*CP*GP*CP*(HYD)AP*AP*AP*TP*TP*TP*GP*CP*G)-3', 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*(IGU)P*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Robinson, H, Gao, Y.-G, Bauer, C, Roberts, C, Switzer, C, Wang, A.H.-J. | | Deposit date: | 1998-06-10 | | Release date: | 1998-07-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 2'-Deoxyisoguanosine adopts more than one tautomer to form base pairs with thymidine observed by high-resolution crystal structure analysis.
Biochemistry, 37, 1998
|
|
4NR9
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with acetylated lysine | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N(6)-ACETYLLYSINE | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-11-26 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
|
|
1DP8
 | |
1SWH
 | | CORE-STREPTAVIDIN MUTANT W79F AT PH 4.5 | | Descriptor: | CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
|
|
1SWQ
 | | CORE-STREPTAVIDIN MUTANT W120A AT PH 7.5 | | Descriptor: | CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
|
|
1SWK
 | | CORE-STREPTAVIDIN MUTANT W79F IN COMPLEX WITH BIOTIN AT PH 4.5 | | Descriptor: | BIOTIN, CORE-STREPTAVIDIN, EPI-BIOTIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
|
|
1SWL
 | | CORE-STREPTAVIDIN MUTANT W108F AT PH 7.0 | | Descriptor: | CORE-STREPTAVIDIN | | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 1998-01-27 | | Release date: | 1999-02-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex.
J.Mol.Biol., 279, 1998
|
|
4RQE
 | | human Seryl-tRNA synthetase dimer complexed with two molecules of tRNAsec | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SERINE, Serine--tRNA ligase, ... | | Authors: | Xie, W, Wang, C, Guo, Y, Tian, Q, Jia, Q. | | Deposit date: | 2014-11-03 | | Release date: | 2015-11-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | SerRS-tRNASec complex structures reveal mechanism of the first step in selenocysteine biosynthesis.
Nucleic Acids Res., 43, 2015
|
|
4LHL
 | |
1FWV
 | |
4FCR
 | | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization | | Descriptor: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide, Heat shock protein HSP 90-alpha | | Authors: | Davies, N.G, Browne, H, Davis, B, Foloppe, N, Geoffrey, S, Gibbons, B, Hart, T, Drysdale, M.J, Mansell, H, Massey, A, Matassova, N, Moore, J.D, Murray, J, Pratt, R, Ray, S, Roughley, S.D, Jensen, M.R, Schoepfer, J, Scriven, K, Simmonite, H, Stokes, S, Surgenor, A, Webb, P, Wright, L, Brough, P. | | Deposit date: | 2012-05-25 | | Release date: | 2012-10-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
|
|
