6V9V
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![BU of 6v9v by Molmil](/molmil-images/mine/6v9v) | Structure of TRPA1 modified by Bodipy-iodoacetamide with bound calcium, LMNG | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily A member 1, ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide | Authors: | Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D. | Deposit date: | 2019-12-16 | Release date: | 2020-05-06 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Irritant-evoked activation and calcium modulation of the TRPA1 receptor. Nature, 585, 2020
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6N5G
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![BU of 6n5g by Molmil](/molmil-images/mine/6n5g) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | Descriptor: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors. Int. J. Biol. Macromol., 129, 2019
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7T5W
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![BU of 7t5w by Molmil](/molmil-images/mine/7t5w) | Structure of E. coli CapH C-terminal domain | Descriptor: | Helix-turn-helix domain-containing protein | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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8UEE
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![BU of 8uee by Molmil](/molmil-images/mine/8uee) | Atomic structure of Salmonella SipA/F-actin complex by cryo-EM | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Niedzialkowska, E, Runyan, L, Kudryashova, E, Kudryashov, D.S, Egelman, E.H. | Deposit date: | 2023-10-01 | Release date: | 2023-12-27 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Stabilization of F-actin by Salmonella effector SipA resembles the structural effects of inorganic phosphate and phalloidin. Structure, 32, 2024
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4WQ6
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![BU of 4wq6 by Molmil](/molmil-images/mine/4wq6) | The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21) | Descriptor: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Li, D, Wang, W. | Deposit date: | 2014-10-21 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg.Med.Chem.Lett., 25, 2015
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6FQK
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![BU of 6fqk by Molmil](/molmil-images/mine/6fqk) | GluA2(flop) S729C ligand binding core dimer bound to ZK200775 at 1.98 Angstrom resolution | Descriptor: | Glutamate receptor 2,Glutamate receptor 2, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.98010445 Å) | Cite: | Homomeric GluA2(R) AMPA receptors can conduct when desensitized. Nat Commun, 10, 2019
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7T3H
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![BU of 7t3h by Molmil](/molmil-images/mine/7t3h) | MicroED structure of Dynobactin | Descriptor: | TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE | Authors: | Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. | Deposit date: | 2021-12-07 | Release date: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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6CDM
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6YK8
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![BU of 6yk8 by Molmil](/molmil-images/mine/6yk8) | OTU-like deubiquitinase from Legionella -Lpg2529 | Descriptor: | PLATINUM (II) ION, Uncharacterized protein | Authors: | Shin, D, Dikic, I. | Deposit date: | 2020-04-05 | Release date: | 2021-02-10 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Bacterial OTU deubiquitinases regulate substrate ubiquitination upon Legionella infection. Elife, 9, 2020
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7ZGU
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![BU of 7zgu by Molmil](/molmil-images/mine/7zgu) | Human NLRP3-deltaPYD hexamer | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3 | Authors: | Raisch, T, Machtens, D.A, Bresch, I.B, Eberhage, J, Prumbaum, D, Reubold, T.F, Raunser, S, Eschenburg, S. | Deposit date: | 2022-04-04 | Release date: | 2022-05-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structure of the NEK7-independent NLRP3 inflammasome To Be Published
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6VEC
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![BU of 6vec by Molmil](/molmil-images/mine/6vec) | Cryo-EM structure of F-actin/Plastin2-ABD2 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zheng, W, Kudryashov, D.S, Egelman, E.H. | Deposit date: | 2019-12-31 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Osteogenesis imperfecta mutations in plastin 3 lead to impaired calcium regulation of actin bundling. Bone Res, 8, 2020
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6YOJ
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![BU of 6yoj by Molmil](/molmil-images/mine/6yoj) | |
8F5A
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![BU of 8f5a by Molmil](/molmil-images/mine/8f5a) | |
6FWZ
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![BU of 6fwz by Molmil](/molmil-images/mine/6fwz) | Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc | Descriptor: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-07 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design. Cell, 175, 2018
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4WX6
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![BU of 4wx6 by Molmil](/molmil-images/mine/4wx6) | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
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7T8N
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![BU of 7t8n by Molmil](/molmil-images/mine/7t8n) | Crystal structure of the PNAG binding module PgaA-TPR 220-359 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Poly-beta-1,6-N-acetyl-D-glucosamine export protein | Authors: | Pfoh, R, Little, D.J, Howell, P.L. | Deposit date: | 2021-12-16 | Release date: | 2022-08-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing. Plos Pathog., 18, 2022
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5JYA
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4X20
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![BU of 4x20 by Molmil](/molmil-images/mine/4x20) | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | Descriptor: | 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Parris, K.D. | Deposit date: | 2014-11-25 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications. J.Med.Chem., 57, 2014
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6FQG
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![BU of 6fqg by Molmil](/molmil-images/mine/6fqg) | GluA2(flop) G724C ligand binding core dimer bound to L-Glutamate (Form A) at 2.34 Angstrom resolution | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2 | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34139085 Å) | Cite: | X-ray structure of GluA2 flop G724C ligand binding core dimer bound to glutamate at 2.32 Angstroms resolution To Be Published
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5K4D
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![BU of 5k4d by Molmil](/molmil-images/mine/5k4d) | Structure of eukaryotic translation initiation factor 3 subunit D (eIF3d) cap binding domain from Nasonia vitripennis, Crystal form 3 | Descriptor: | Eukaryotic translation initiation factor 3 subunit D | Authors: | Kranzusch, P.J, Lee, A.S.Y, Doudna, J.A, Cate, J.H.D. | Deposit date: | 2016-05-20 | Release date: | 2016-07-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | eIF3d is an mRNA cap-binding protein that is required for specialized translation initiation. Nature, 536, 2016
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7SOK
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![BU of 7sok by Molmil](/molmil-images/mine/7sok) | Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329 | Descriptor: | (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid, DI(HYDROXYETHYL)ETHER, NNMT protein | Authors: | Yadav, R, Iyamu, I.D, Huang, R, Noinaj, N. | Deposit date: | 2021-10-31 | Release date: | 2022-11-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329 To Be Published
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8OVD
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![BU of 8ovd by Molmil](/molmil-images/mine/8ovd) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
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8OVC
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![BU of 8ovc by Molmil](/molmil-images/mine/8ovc) | Respiratory supercomplex (III2-IV2) from Mycobacterium smegmatis | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | Authors: | Kovalova, T, Krol, S, Sjostrand, D, Riepl, D, Gamiz-Hernandez, A, Brzezinski, P, Kaila, V, Hogbom, M. | Deposit date: | 2023-04-25 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Long-range charge transfer mechanism of the III 2 IV 2 mycobacterial supercomplex. Nat Commun, 15, 2024
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4X1I
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![BU of 4x1i by Molmil](/molmil-images/mine/4x1i) | Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications | Descriptor: | 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Parris, K.D. | Deposit date: | 2014-11-24 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications. J.Med.Chem., 57, 2014
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8QE8
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![BU of 8qe8 by Molmil](/molmil-images/mine/8qe8) | Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ... | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | Deposit date: | 2023-08-30 | Release date: | 2024-05-15 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism. Mol.Cell, 84, 2024
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