5NHL
| Human Erk2 with an Erk1/2 inhibitor | Descriptor: | (6~{R})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
|
|
4X6Z
| Yeast 20S proteasome in complex with PR-VI modulator | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rostankowski, R, Witkowska, J, Borek, D, Otwinowski, Z, Jankowska, E. | Deposit date: | 2014-12-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures revealed the common place of binding of low-molecular
mass activators with the 20S proteasome To Be Published
|
|
2GPA
| ALLOSTERIC INHIBITION OF GLYCOGEN PHOSPHORYLASE A BY A POTENTIAL ANTIDIABETIC DRUG | Descriptor: | GLYCEROL, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Oikonomakos, N.G, Tsitsanou, K.E, Zographos, S.E, Skamnaki, V.T. | Deposit date: | 1999-02-18 | Release date: | 1999-02-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Allosteric inhibition of glycogen phosphorylase a by the potential antidiabetic drug 3-isopropyl 4-(2-chlorophenyl)-1,4-dihydro-1-ethyl-2-methyl-pyridine-3,5,6-tricarbo xylate. Protein Sci., 8, 1999
|
|
6VW0
| Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7ZQN
| |
1NUV
| The Leadzyme Ribozyme Bound to Mg(H2O)6(II) and Sr(II) at 1.8 A resolution | Descriptor: | 5'-R(*CP*GP*GP*AP*CP*CP*GP*AP*GP*CP*CP*AP*G)-3', 5'-R(*GP*CP*UP*GP*GP*GP*AP*GP*UP*CP*C)-3', MAGNESIUM ION, ... | Authors: | Wedekind, J.E, Mckay, D.B. | Deposit date: | 2003-02-01 | Release date: | 2003-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of the leadzyme at 1.8 A resolution: metal ion binding and the implications
for catalytic mechanism and allo site ion regulation. BIOCHEMISTRY, 42, 2003
|
|
6SLZ
| Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2019-08-21 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist To Be Published
|
|
7LO0
| Structure of human ASF1a in complex with a TLK2 peptide | Descriptor: | Histone chaperone ASF1A, Serine/threonine-protein kinase tousled-like 2 | Authors: | Simon, B, Calderwood, D, Turk, B.E, Boggon, T.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry. Nat Commun, 13, 2022
|
|
7ZQM
| |
6VYE
| |
2NTZ
| |
5EKI
| |
7B3E
| Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | Authors: | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | Deposit date: | 2020-11-30 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
|
|
6BHK
| Phosphotriesterase variant R18deltaL7 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | Deposit date: | 2017-10-30 | Release date: | 2019-01-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Phosphotriesterase variant R18deltaL7 To Be Published
|
|
7ZRV
| cryo-EM structure of omicron spike in complex with de novo designed binder, full map | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-05 | Release date: | 2023-03-08 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
|
|
8GH6
| |
6WGT
| Crystal structure of HTR2A with hallucinogenic agonist | Descriptor: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | Deposit date: | 2020-04-06 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
|
|
7ARQ
| Cryo EM of 3D DNA origami 16 helix bundle | Descriptor: | SCAFFOLD STRAND, STAPLE STRAND | Authors: | Feigl, E, Kube, M, Kohler, F. | Deposit date: | 2020-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Revealing the structures of megadalton-scale DNA complexes with nucleotide resolution. Nat Commun, 11, 2020
|
|
3I3D
| E. COLI (lacZ) BETA-GALACTOSIDASE (M542A) IN COMPLEX WITH IPTG | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | Authors: | Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E. | Deposit date: | 2009-06-30 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli). Biochem.Cell Biol., 88, 2010
|
|
4X58
| Anthranilate phosphoribosyl transferase variant N138A from Mycobacterium tuberculosis in complex with PRPP and Mg | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, D-MALATE, ... | Authors: | Cookson, T.V.M, Evans, G.L, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-04 | Release date: | 2015-11-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
|
|
1NUJ
| THE LEADZYME STRUCTURE BOUND TO MG(H20)6(II) AT 1.8 A RESOLUTION | Descriptor: | 5'-R(*CP*GP*GP*AP*CP*CP*GP*AP*GP*CP*CP*AP*G)-3', 5'-R(*GP*CP*UP*GP*GP*GP*AP*GP*UP*CP*C)-3', MAGNESIUM ION | Authors: | Wedekind, J.E, Mckay, D.B. | Deposit date: | 2003-01-31 | Release date: | 2003-08-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the leadzyme at 1.8 A resolution: metal ion binding and the implications
for catalytic mechanism and allo site ion regulation. BIOCHEMISTRY, 42, 2003
|
|
6GOF
| KRAS full length G12D GPPNHP | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Ehebauer, M.T, Phillips, S.V.E, Rabbitts, T.H. | Deposit date: | 2018-06-01 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
7ZP8
| 70S E. coli ribosome with a stalled filamin domain 5 nascent chain | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Chan, S.H.S, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-26 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
7ZOD
| 70S E. coli ribosome with an extended uL23 loop from Candidatus marinimicrobia | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | Authors: | Mitropoulou, A, Plessa, E, Wlodarski, T, Ahn, M, Sidhu, H, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J. | Deposit date: | 2022-04-25 | Release date: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Modulating co-translational protein folding by rational design and ribosome engineering. Nat Commun, 13, 2022
|
|
5A1Z
| Cryo-EM structure of Dengue virus serotype 2 strain PVP94-07 complexed with human antibody 2D22 Fab at 37 degrees C | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 - LIGHT CHAIN, ENVELOPE PROTEIN, ... | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe Jr, J.E, Lok, S.M. | Deposit date: | 2015-05-06 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.9 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
|
|