4HOJ
 
 | | Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione | | Descriptor: | ACETATE ION, CALCIUM ION, GLUTATHIONE, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-10-22 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of glutathione transferase homolog from Neisseria Gonorrhoeae, target EFI-501841, with bound glutathione
To be Published
|
|
7NTH
 | | Structure of TAK1 in complex with compound 54 | | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
|
|
7NRT
 | | Conformation 2 of straight filament from primary age-related tauopathy brain | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-03-04 | | Release date: | 2021-03-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
|
|
5XH6
 | | Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RVR variant in complex with crRNA and target DNA (TATA PAM) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ... | | Authors: | Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O. | | Deposit date: | 2017-04-19 | | Release date: | 2017-06-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
|
|
7NTI
 | | Structure of TAK1 in complex with compound 22 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | | Deposit date: | 2021-03-09 | | Release date: | 2021-04-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
|
|
7NRX
 | | Straight filament from Alzheimer's disease with PET ligand APN-1607 | | Descriptor: | Microtubule-associated protein tau | | Authors: | Shi, Y, Murzin, A.G, Falcon, B, Epstein, A, Machin, J, Tempest, P, Newell, K.L, Vidal, R, Garringer, H.J, Sahara, N, Higuchi, M, Ghetti, B, Jang, M, Scheres, S.H.W, Goedert, M. | | Deposit date: | 2021-03-04 | | Release date: | 2021-03-24 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease with PET ligand APN-1607.
Acta Neuropathol, 141, 2021
|
|
5XMZ
 | | Verticillium effector PevD1 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Effector protein PevD1 | | Authors: | Liu, X, Zhou, R. | | Deposit date: | 2017-05-17 | | Release date: | 2017-07-05 | | Last modified: | 2017-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The asparagine-rich protein NRP interacts with the Verticillium effector PevD1 and regulates the subcellular localization of cryptochrome 2
J. Exp. Bot., 68, 2017
|
|
6Y10
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant Q126H | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2020-02-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
|
|
2WWD
 | | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with pneummococcal peptidoglycan fragment | | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, ... | | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
|
|
7NRF
 | | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
|
|
7NRE
 | | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
|
|
7NRI
 | | Structure of the darobactin-bound E. coli BAM complex (BamABCDE) | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | | Deposit date: | 2021-03-03 | | Release date: | 2021-04-21 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase.
Nature, 593, 2021
|
|
5XQL
 | | Crystal structure of a Pseudomonas aeruginosa transcriptional regulator | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Multidrug-efflux transporter 1 regulator | | Authors: | Raju, H, Sharma, R. | | Deposit date: | 2017-06-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.494 Å) | | Cite: | Crystal structure of BrlR with c-di-GMP
Biochem. Biophys. Res. Commun., 490, 2017
|
|
5XQU
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20I mutant (NFE6, AFP), P212121 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6YS8
 | |
6Y5A
 | | Serotonin-bound 5-HT3A receptor in Salipro | | Descriptor: | 5-hydroxytryptamine receptor 3A, SEROTONIN | | Authors: | Zhang, Y, Dijkman, P.M, Zou, R, Zandl-Lang, M, Sanchez, R.M, Eckhardt-Strelau, L, Koefeler, H, Vogel, H, Yuan, S, Kudryashev, M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-12-23 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Asymmetric opening of the homopentameric 5-HT 3A serotonin receptor in lipid bilayers.
Nat Commun, 12, 2021
|
|
7NWD
 | | Three-quartet c-kit2 G-quadruplex stabilized by a pyrene conjugate | | Descriptor: | POTASSIUM ION, c-kit2_py1 | | Authors: | Peterkova, K, Durnik, I, Marek, R, Plavec, J, Podbevsek, P. | | Deposit date: | 2021-03-16 | | Release date: | 2021-08-04 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | c-kit2 G-quadruplex stabilized via a covalent probe: exploring G-quartet asymmetry.
Nucleic Acids Res., 49, 2021
|
|
5XPV
 | | Structure of the V domain of amphioxus IgVJ-C2 | | Descriptor: | amphioxus IgVJ-C2 | | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | | Deposit date: | 2017-06-05 | | Release date: | 2018-04-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
|
|
7NQ4
 | |
7W8J
 | | Dimethylformamidase, 2x(A2B2) | | Descriptor: | FE (III) ION, N,N-dimethylformamidase large subunit, N,N-dimethylformamidase small subunit | | Authors: | Vinothkumar, K.R, Subramanian, R, Arya, C, Ramanathan, G. | | Deposit date: | 2021-12-07 | | Release date: | 2022-04-06 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Dimethylformamidase with a Unique Iron Center
To Be Published
|
|
5XPW
 | | Structure of amphioxus IgVJ-C2 molecule | | Descriptor: | amphioxus IgVJ-C2 | | Authors: | Chen, R, Qi, J, Zhang, N, Zhang, L, Yao, S, Wu, Y, Jiang, B, Wang, Z, Yuan, H, Zhang, Q, Xia, C. | | Deposit date: | 2017-06-05 | | Release date: | 2018-04-18 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Discovery and Analysis of Invertebrate IgVJ-C2 Structure from Amphioxus Provides Insight into the Evolution of the Ig Superfamily.
J. Immunol., 200, 2018
|
|
6YHH
 | | X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL | | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J. | | Deposit date: | 2020-03-30 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
|
|
3DPF
 | | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | | Descriptor: | ACETOHYDROXAMIC ACID, CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, ... | | Authors: | Pochetti, G, Montanari, R, Mazza, F. | | Deposit date: | 2008-07-08 | | Release date: | 2009-03-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
|
|
6YFY
 | | Solid-state NMR structure of the D-Arg4,L10-teixobactin - Lipid II complex in lipid bilayers. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, 3-methylbut-2-en-1-ol, D-Arg4,Leu10-Teixobactin, ... | | Authors: | Weingarth, M.H, Shukla, R. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-10 | | Last modified: | 2024-08-07 | | Method: | SOLID-STATE NMR | | Cite: | Mode of action of teixobactins in cellular membranes.
Nat Commun, 11, 2020
|
|
5XQV
 | | Crystal structure of Notched-fin eelpout type III antifreeze protein A20L mutant (NFE6, AFP), P21 form | | Descriptor: | Ice-structuring protein | | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
