7TTE
 
 | | Tubulin-RB3_SLD in complex with compound 12j | | Descriptor: | 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2022-02-01 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
|
|
3OX2
 | | X-ray Structural study of quinone reductase II inhibition by compounds with micromolar to nanomolar range IC50 values | | Descriptor: | 2-hydroxy-8,9-dimethoxy-6H-isoindolo[2,1-a]indol-6-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Pegan, S.D, Sturdy, M, Mesecar, A.D. | | Deposit date: | 2010-09-21 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | X-ray structural studies of quinone reductase 2 nanomolar range inhibitors.
Protein Sci., 20, 2011
|
|
3OOF
 | |
6I51
 | | Thrombin in complex with fragment J02 | | Descriptor: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2018-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Fragment screening of Thrombin using a 96 member fragment library
To Be Published
|
|
6IOL
 | | Cryo-EM structure of multidrug efflux pump MexAB-OprM (60 degree state) | | Descriptor: | Multidrug resistance protein MexA, Multidrug resistance protein MexB, Outer membrane protein OprM | | Authors: | Tsutsumi, K, Yonehara, R, Nakagawa, A, Yamashita, E. | | Deposit date: | 2018-10-30 | | Release date: | 2019-04-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structures of the wild-type MexAB-OprM tripartite pump reveal its complex formation and drug efflux mechanism.
Nat Commun, 10, 2019
|
|
7U5D
 | | I-F3b Cascade-TniQ full R-loop complex | | Descriptor: | Cas6, Cas7, Cas8/5, ... | | Authors: | Park, J.U, Mehrotra, E, Kellogg, E.H. | | Deposit date: | 2022-03-02 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Multiple adaptations underly co-option of a CRISPR surveillance complex for RNA-guided DNA transposition.
Mol.Cell, 83, 2023
|
|
4DQF
 | | Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ... | | Authors: | Schiffer, C.A, Mittal, S. | | Deposit date: | 2012-02-15 | | Release date: | 2012-03-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
|
|
4DTY
 | | cytochrome P450 BM3h-8C8 MRI sensor, no ligand | | Descriptor: | MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
|
|
6OZK
 | |
3P0S
 | |
4DWP
 | | SeMet protelomerase tela covalently complexed with substrate DNA | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), Protelomerase, ... | | Authors: | Shi, K, Aihara, H. | | Deposit date: | 2012-02-26 | | Release date: | 2013-02-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
|
|
6P1Z
 | |
6I7P
 | | Crystal structure of the full-length Zika virus NS5 protein (Human isolate Z1106033) | | Descriptor: | NS5, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Ferrero, D.S, Ruiz-Arroyo, V.M, Soler, N, Uson, I, Verdaguer, N. | | Deposit date: | 2018-11-16 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.975 Å) | | Cite: | Supramolecular arrangement of the full-length Zika virus NS5.
Plos Pathog., 15, 2019
|
|
6ZYX
 | | Outer Dynein Arm-Shulin complex - Shulin region from Tetrahymena thermophila | | Descriptor: | Dynein heavy chain, outer arm protein, Dynein intermediate chain 2, ... | | Authors: | Mali, G.R, Abid Ali, F, Lau, C.K, Carter, A.P. | | Deposit date: | 2020-08-03 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Shulin packages axonemal outer dynein arms for ciliary targeting.
Science, 371, 2021
|
|
6ZNA
 | | Porcine ATP synthase Fo domain | | Descriptor: | ATP synthase F(0) complex subunit C1, mitochondrial, ATP synthase g subunit, ... | | Authors: | Spikes, T.E, Montgomery, M.G, Walker, J.E. | | Deposit date: | 2020-07-06 | | Release date: | 2020-09-09 | | Last modified: | 2020-09-30 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6IAZ
 | |
6P78
 | | queuine lyase from Clostridium spiroforme bound to SAM and queuine | | Descriptor: | 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, IRON/SULFUR CLUSTER, Queuine lyase, ... | | Authors: | Almo, S.C, Grove, T.L. | | Deposit date: | 2019-06-05 | | Release date: | 2019-09-18 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.726 Å) | | Cite: | Discovery of novel bacterial queuine salvage enzymes and pathways in human pathogens.
Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6ZXK
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
|
|
6P8V
 | | Structure of E. coli MS115-1 HORMA:CdnC:Trip13 complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase, AAA family, ... | | Authors: | Ye, Q, Corbett, K.D. | | Deposit date: | 2019-06-08 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
|
|
3OXX
 | | Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor Atazanavir | | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, 1,2-ETHANEDIOL, ... | | Authors: | Schiffer, C.A, Bandaranayake, R.M. | | Deposit date: | 2010-09-22 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural and thermodynamic basis of amprenavir/darunavir and atazanavir resistance in HIV-1 protease with mutations at residue 50.
J.Virol., 87, 2013
|
|
6INN
 | |
6ZU5
 | | Structure of the Paranosema locustae ribosome in complex with Lso2 | | Descriptor: | 18S rRNA, 25S rRNA, 5S rRNA, ... | | Authors: | Ehrenbolger, K, Jespersen, N, Sharma, H, Sokolova, Y.Y, Tokarev, Y.S, Vossbrinck, C.R, Barandun, J. | | Deposit date: | 2020-07-21 | | Release date: | 2020-11-04 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Differences in structure and hibernation mechanism highlight diversification of the microsporidian ribosome.
Plos Biol., 18, 2020
|
|
6PB4
 | |
6ZXL
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
|
|
7UHJ
 | | Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (60 ms Snapshot) | | Descriptor: | (1R,6R,7R)-7-[(2R)-2-carboxypropanamido]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-03-27 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase.
Nat Commun, 13, 2022
|
|
