6G2L
 
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6ZR0
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5IS5
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7ONP
 | | Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ... | | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | | Deposit date: | 2021-05-25 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.408 Å) | | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
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6DKI
 | | Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 19. | | Descriptor: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide, High affinity nerve growth factor receptor | | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | | Deposit date: | 2018-05-29 | | Release date: | 2018-07-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.
J. Med. Chem., 61, 2018
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9C5N
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9G2A
 | | Staphylococcus aureus MazF in complex with nanobody 4 | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoribonuclease MazF, ... | | Authors: | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | | Deposit date: | 2024-07-10 | | Release date: | 2024-07-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.046594 Å) | | Cite: | Staphylococcus aureus MazF in complex with nanobody 4.
To Be Published
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6ZX9
 | | Crystal structure of SIV Vpr,fused to T4 lysozyme, isolated from moustached monkey, bound to human DDB1 and human DCAF1 (amino acid residues 1046-1396) | | Descriptor: | DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1, GLYCEROL, ... | | Authors: | Schwefel, D, Banchenko, S. | | Deposit date: | 2020-07-29 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.519729 Å) | | Cite: | Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
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9C5M
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6X6I
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-28 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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8TJ9
 | | CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wu, N.C, Zhu, X, Wilson, I.A. | | Deposit date: | 2023-07-20 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
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4XY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand | | Descriptor: | 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4 | | Authors: | Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain.
J.Med.Chem., 58, 2015
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5IDQ
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9C5O
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8U4A
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8YP4
 | | Structure of MAP2K1 complexed with 5Z7-oxozeaenol | | Descriptor: | (4~{S},9~{S},10~{S},12~{E})-16-methoxy-4-methyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL | | Authors: | Yumura, S, Kinoshita, T. | | Deposit date: | 2024-03-15 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors.
Bioorg.Med.Chem.Lett., 112, 2024
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9G2G
 | | Staphylococcus aureus MazF in complex with nanobody 5 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoribonuclease MazF, Nanobody 5 | | Authors: | Prolic-Kalinsek, M, Zorzini, V, Haesaerts, S, Loris, R. | | Deposit date: | 2024-07-10 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.80048239 Å) | | Cite: | Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF
To Be Published
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8Z07
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5LMN
 | | Structure of bacterial 30S-IF1-IF3-mRNA translation pre-initiation complex (state-1A) | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Hussain, T, Llacer, J.L, Wimberly, B.T, Ramakrishnan, V. | | Deposit date: | 2016-08-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Large-Scale Movements of IF3 and tRNA during Bacterial Translation Initiation.
Cell, 167, 2016
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8Z7E
 | | Structure of G9a in complex with compound 9b | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-04-20 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.545 Å) | | Cite: | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
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6DW3
 | | SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8DE9
 | | Cryo-EM structure of the zebrafish two pore domain K+ channel TREK1 (K2P2.1) in DDM/POPE mixed micelles | | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, POTASSIUM ION, Potassium channel, ... | | Authors: | Schmidpeter, P.A.M, Nimigean, C.M, Riegelhaupt, P.M. | | Deposit date: | 2022-06-20 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Membrane phospholipids control gating of the mechanosensitive potassium leak channel TREK1.
Nat Commun, 14, 2023
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6GAZ
 | | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit. | | Descriptor: | 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ... | | Authors: | Kummer, E, Leibundgut, M, Boehringer, D, Ban, N. | | Deposit date: | 2018-04-13 | | Release date: | 2018-08-08 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM.
Nature, 560, 2018
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2RLL
 | | CCR5 Nt(7-15) | | Descriptor: | 9-mer from C-C chemokine receptor type 5 | | Authors: | Bewley, C.A, Lam, S.N. | | Deposit date: | 2007-07-21 | | Release date: | 2007-09-25 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structures of the CCR5 N terminus and of a tyrosine-sulfated antibody with HIV-1 gp120 and CD4
Science, 317, 2007
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8YZC
 | | Structure of BA.2.86 spike protein in complex with ACE2. | | Descriptor: | Angiotensin-converting enzyme 2, Spike glycoprotein,Fibritin,Expression Tag | | Authors: | Wang, Y.J, Zang, X, Sun, L. | | Deposit date: | 2024-04-06 | | Release date: | 2025-01-22 | | Last modified: | 2025-07-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Lineage-specific pathogenicity, immune evasion, and virological features of SARS-CoV-2 BA.2.86/JN.1 and EG.5.1/HK.3.
Nat Commun, 15, 2024
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