2FWW
| |
2FPZ
| Human tryptase with 2-amino benzimidazole | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2 | Authors: | Somoza, J.R. | Deposit date: | 2006-01-17 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-guided design of Peptide-based tryptase inhibitors. Biochemistry, 45, 2006
|
|
2FS8
| Human beta-tryptase II with inhibitor CRA-29382 | Descriptor: | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2 | Authors: | Somoza, J.R. | Deposit date: | 2006-01-21 | Release date: | 2006-03-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-guided design of Peptide-based tryptase inhibitors. Biochemistry, 45, 2006
|
|
2FX6
| bovine trypsin complexed with 2-aminobenzamidazole | Descriptor: | 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin | Authors: | Katz, B.A. | Deposit date: | 2006-02-03 | Release date: | 2006-02-14 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure-guided design of Peptide-based tryptase inhibitors. Biochemistry, 45, 2006
|
|
5N4S
| VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3) | Descriptor: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
|
|
5N58
| di-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | Descriptor: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, GLYCEROL, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-13 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
|
|
5FQC
| Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | Authors: | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
5FQ9
| Crystal structure of the OXA10 with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, ACETATE ION, BETA-LACTAMASE OXA-10, ... | Authors: | Brem, J, McDonough, M.A, Cain, R, Clifton, I, Fishwick, C.W.G, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
6SEQ
| Lemur tyrosine kinase 3 (LMTK3) | Descriptor: | Serine/threonine-protein kinase LMTK3 | Authors: | Roe, S.M, Owen, R. | Deposit date: | 2019-07-30 | Release date: | 2020-11-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure-function relationship of oncogenic LMTK3. Sci Adv, 6, 2020
|
|
5FQB
| Crystal Structure of Bacillus cereus Metallo-Beta-Lactamase with 2C | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE 2, GLYCEROL, ... | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2015-12-08 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates. Nat Commun, 7, 2016
|
|
5ENJ
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening) | Descriptor: | MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5ABA
| |
5AB9
| |
5ENH
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5ENB
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5ENI
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening) | Descriptor: | PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5ENC
| Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
|
|
5AOL
| |
5AOK
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan7099 | Descriptor: | 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Joerger, A.C. | Deposit date: | 2015-09-10 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
|
|
5AOM
| Structure of the p53 cancer mutant Y220C with bound small molecule PhiKan883 | Descriptor: | CELLULAR TUMOR ANTIGEN P53, GLYCEROL, N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide, ... | Authors: | Joerger, A.C, Boeckler, F.M, Wilcken, R. | Deposit date: | 2015-09-10 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
|
|
5AOJ
| Structure of the p53 cancer mutant Y220C in complex with 2-hydroxy-3, 5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid | Descriptor: | 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid, CELLULAR TUMOR ANTIGEN P53, DI(HYDROXYETHYL)ETHER, ... | Authors: | Joerger, A.C, Baud, M.G, Bauer, M.R, Fersht, A.R. | Deposit date: | 2015-09-10 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant P53. Structure, 23, 2015
|
|
5AOI
| |
5T66
| Crystal Structure of CTX-M-15 with 1C | Descriptor: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | Authors: | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2016-09-01 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Cyclic Boronates Inhibit All Classes of beta-Lactamases. Antimicrob. Agents Chemother., 61, 2017
|
|
6SI2
| p53 cancer mutant Y220S | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Joerger, A.C, Bauer, M.R, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
|
|
6SHZ
| p53 cancer mutant Y220C | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
|
|