8PBY
 
 | |
5MRN
 | | Arabidopsis thaliana IspD Glu258Ala Mutant | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
8QZQ
 | | Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor | | Descriptor: | Multidrug efflux pump subunit AcrB, [(2~{R})-1-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-3-undecanoyloxy-propan-2-yl] tricosanoate, [3-(3-chloranyl-2-piperazin-1-yl-quinolin-6-yl)phenyl]methanamine | | Authors: | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | | Deposit date: | 2023-10-29 | | Release date: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Single particle cryo-EM co-structure of E. coli AcrB with bound BDM91531 inhibitor at 3.23 A resolution
To be published
|
|
5M3M
 | | Free monomeric RNA polymerase I at 4.0A resolution | | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | | Authors: | Neyer, S, Kunz, M, Geiss, C, Hantsche, M, Hodirnau, V.-V, Seybert, A, Engel, C, Scheffer, M.P, Cramer, P, Frangakis, A.S. | | Deposit date: | 2016-10-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of RNA polymerase I transcribing ribosomal DNA genes.
Nature, 540, 2016
|
|
8PBZ
 | |
8PC0
 | | Sub-tomogram average of the open conformation of the Nap adhesion complex from the human pathogen Mycoplasma genitalium. | | Descriptor: | Adhesin P1, Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-1,5-anhydro-D-glucitol, ... | | Authors: | Sprankel, L, Scheffer, M.P, Frangakis, A.F. | | Deposit date: | 2023-06-09 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (17 Å) | | Cite: | Cryo-electron tomography reveals the binding and release states of the major adhesion complex from Mycoplasma genitalium.
Plos Pathog., 19, 2023
|
|
8QZT
 | |
5MRQ
 | | Arabidopsis thaliana IspD Asp262Ala Mutant | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5MRO
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5YVM
 | | Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NZQ | | Descriptor: | 5,6-DIHYDROXY-NADP, MANGANESE (II) ION, alcohol dehydrogenase | | Authors: | Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T. | | Deposit date: | 2017-11-26 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
|
|
7B8Q
 | | Acinetobacter baumannii multidrug transporter AdeB in L*OO state | | Descriptor: | Efflux pump membrane transporter | | Authors: | Ornik-Cha, A, Reitz, J, Seybert, A, Frangakis, A, Pos, K.M. | | Deposit date: | 2020-12-13 | | Release date: | 2021-10-20 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.84 Å) | | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms.
Nat Commun, 12, 2021
|
|
7B8P
 | | Acinetobacter baumannii multidrug transporter AdeB in OOO state | | Descriptor: | Efflux pump membrane transporter | | Authors: | Ornik-Cha, A, Reitz, J, Seybert, A, Frangakis, A, Pos, K.M. | | Deposit date: | 2020-12-13 | | Release date: | 2021-10-20 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural and functional analysis of the promiscuous AcrB and AdeB efflux pumps suggests different drug binding mechanisms.
Nat Commun, 12, 2021
|
|
5MRP
 | | Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2) | | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
4IJH
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
|
|
4IJL
 | | Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, {[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | | Authors: | Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2012-12-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013
|
|
4IPC
 | | Structure of the N-terminal domain of RPA70, E7R mutant | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
|
|
4IPD
 | | Structure of the N-terminal domain of RPA70, E100R mutant | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
|
|
4IPG
 | | Structure of the N-terminal domain of RPA70, E7R, E100R mutant | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit | | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
|
|
4IPH
 | | Structure of N-terminal domain of RPA70 in complex with VU079104 inhibitor | | Descriptor: | Replication protein A 70 kDa DNA-binding subunit, ~{N}-(2,3-dimethylphenyl)-7-oxidanylidene-12-sulfanylidene-5,11-dithia-1,8-diazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9-triene-10-carboxamide | | Authors: | Feldkamp, M.D, Frank, A.O, Vangamudi, B, Fesik, S.W, Chazin, W.J. | | Deposit date: | 2013-01-09 | | Release date: | 2013-09-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Surface Reengineering of RPA70N Enables Cocrystallization with an Inhibitor of the Replication Protein A Interaction Motif of ATR Interacting Protein.
Biochemistry, 52, 2013
|
|
8P4I
 | | Cyanide dihydratase from Bacillus pumilus C1 | | Descriptor: | Cyanide dihydratase | | Authors: | Mulelu, A.E, Reitz, J, van Rooyen, J.M, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T. | | Deposit date: | 2023-05-22 | | Release date: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.83 Å) | | Cite: | The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
|
|
5A3O
 | | Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(cinnamido)-6-deoxy-alpha-D-mannopyranoside at 1.6 ansgtrom | | Descriptor: | CALCIUM ION, CHLORIDE ION, CINNAMIDE, ... | | Authors: | Sommer, R, Hauck, D, Varrot, A, Audfray, A, Imberty, A, Titz, A. | | Deposit date: | 2015-06-02 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cinnamide Derivatives of D-Mannose as Inhibitors of the Bacterial Virulence Factor Lecb from Pseudomonas Aeruginosa
Chemistryopen, 4, 2015
|
|
5YVR
 | | Crystal Structure of the H277A mutant of ADH/D1, an archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase | | Descriptor: | MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase | | Authors: | Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T. | | Deposit date: | 2017-11-27 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.896 Å) | | Cite: | Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
|
|
5MRM
 | | Arabidopsis thaliana IspD in complex with Isoxazole (4) | | Descriptor: | 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ... | | Authors: | Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F. | | Deposit date: | 2016-12-23 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
|
|
5YVS
 | | Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NADP | | Descriptor: | MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase | | Authors: | Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T. | | Deposit date: | 2017-11-27 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.345 Å) | | Cite: | Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
|
|
8UDV
 | | The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ... | | Authors: | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | | Deposit date: | 2023-09-29 | | Release date: | 2024-02-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.348 Å) | | Cite: | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
|
|
