6REK
 
 | | Crystal structure of Pizza6-SH with Cu2+ | | Descriptor: | COPPER (II) ION, GLYCEROL, Pizza6-SH | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Artificial beta-propeller protein-based hydrolases.
Chem.Commun.(Camb.), 55, 2019
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5AB8
 | | High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of Mycobacterium tuberculosis HbN | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Pesce, A, Bustamante, J.P, Bidon-Chanal, A, Boechi, L, Estrin, D.A, Luque, F.J, Sebilo, A, Guertin, M, Bolognesi, M, Ascenzi, P, Nardini, M. | | Deposit date: | 2015-08-04 | | Release date: | 2015-11-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The N-Terminal Pre-A Region of Mycobacterium Tuberculosis 2/2Hbn Promotes No-Dioxygenase Activity.
FEBS J., 283, 2016
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6R7O
 | | Crystal structure of the central region of human cohesin subunit STAG1 | | Descriptor: | Cohesin subunit SA-1 | | Authors: | Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2019-03-29 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
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4TKP
 | | Complex of Ubc13 with the RING domain of the TRIM5alpha retroviral restriction factor | | Descriptor: | SULFATE ION, Tripartite motif-containing protein 5, Ubiquitin-conjugating enzyme E2 N, ... | | Authors: | Johnson, R, Taylor, A.B, Hart, P.J, Ivanov, D.N. | | Deposit date: | 2014-05-27 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | RING Dimerization Links Higher-Order Assembly of TRIM5 alpha to Synthesis of K63-Linked Polyubiquitin.
Cell Rep, 12, 2015
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6HKN
 | | Crystal structure of Compound 35 with ERK5 | | Descriptor: | Mitogen-activated protein kinase 7, [2-azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone | | Authors: | Nguyen, D, Lemos, C, Wortmann, L, Eis, K, Holton, S.J, Boemer, U, Lechner, C, Prechtl, S, Suelze, D, Siegel, F, Prinz, F, Lesche, R, Nicke, B, Mumberg, D, Bauser, M, Haegebarth, A. | | Deposit date: | 2018-09-07 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective (Piperidin-4-yl)pyrido[3,2- d]pyrimidine Based in Vitro Probe BAY-885 for the Kinase ERK5.
J. Med. Chem., 62, 2019
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6B7P
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6HKS
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5HMA
 | | Crystal structure of MamO protease domain from Magnetospirillum magneticum (Ni bound form) | | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Trypsin-like serine protease, ... | | Authors: | Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A. | | Deposit date: | 2016-01-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria.
Plos Biol., 14, 2016
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6FAW
 | | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2c-I with 14-3-3sigma | | Descriptor: | (2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | | Authors: | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | | Deposit date: | 2017-12-18 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes.
ACS Chem Neurosci, 9, 2018
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6VB6
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6EVU
 | | Adhesin domain of PrgB from Enterococcus faecalis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, PrgB | | Authors: | Schmitt, A, Berntsson, R.P.A. | | Deposit date: | 2017-11-02 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.598 Å) | | Cite: | PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction.
Mol. Microbiol., 109, 2018
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5L97
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1L8V
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5L9D
 | | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rupp, B, Naschberger, A. | | Deposit date: | 2016-06-10 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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6HN0
 | | Complex of Ovine Serum Albumin with diclofenac | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ACETATE ION, ... | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G. | | Deposit date: | 2018-09-13 | | Release date: | 2019-10-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins.
Int J Mol Sci, 24, 2023
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8GY7
 | | Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein | | Descriptor: | CALCIUM ION, Corticotropin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Luo, P, Feng, W.B, Ma, S.S, Dai, A.T, Yuan, Q.N, Wu, K, Yang, D.H, Wang, M.W, Xu, H.E, Jiang, Y. | | Deposit date: | 2022-09-21 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of signaling regulation of the human melanocortin-2 receptor by MRAP1.
Cell Res., 33, 2023
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4TRY
 | | Structure of BACE1 complex with a HEA-type inhibitor | | Descriptor: | Beta-secretase 1, GLU-ILE-TIH-THC-NVA | | Authors: | Akaji, K, Teruya, K, Akiyama, T, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-06-18 | | Release date: | 2015-07-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of BACE1 complex with an anti-HMC-type inhibitor
to be published
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6R73
 | | Structure of IMP-13 metallo-beta-lactamase complexed with hydrolysed meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Softley, C.A, Zak, K, Kolonko, M, Sattler, M, Popowicz, G. | | Deposit date: | 2019-03-28 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Molecular Recognition Mechanism of IMP-13 Metallo-beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2020
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5T6L
 | | Crystal structure of 10E8 Fab in complex with the MPER epitope scaffold T117v2 | | Descriptor: | 10E8 EPITOPE SCAFFOLD T117V2, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Antibody 10E8 FAB HEAVY CHAIN, ... | | Authors: | Irimia, A, Wilson, I.A. | | Deposit date: | 2016-09-01 | | Release date: | 2017-03-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017
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8BQK
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 22 min | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | Deposit date: | 2022-11-21 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.587 Å) | | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022
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4TU6
 | | Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation | | Descriptor: | ATPase family AAA domain-containing protein 2, SULFATE ION | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-23 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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8BQJ
 | | W-formate dehydrogenase from Desulfovibrio vulgaris - Soaking with Formate 5 min | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Vilela-Alves, G, Mota, C, Oliveira, A.R, Manuel, R.R, Pereira, I.C, Romao, M.J. | | Deposit date: | 2022-11-21 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.107 Å) | | Cite: | Tracking W-Formate Dehydrogenase Structural Changes During Catalysis and Enzyme Reoxidation.
Int J Mol Sci, 24, 2022
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6SBL
 | | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-hexylbenzenesulfonamide, CITRATE ANION, ... | | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-07-21 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide
To Be Published
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6HPH
 | | Crystal structure of human Pif1 helicase in complex with AMP-PNP | | Descriptor: | ATP-dependent DNA helicase PIF1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | | Deposit date: | 2018-09-20 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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4RK6
 | | Crystal structure of LacI family transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926, with bound glucose | | Descriptor: | Glucose-resistance amylase regulator, alpha-D-glucopyranose | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-10-11 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of transcriptional regulator CCPA from Weissella paramesenteroides, Target EFI-512926
To be Published
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