8V6O
| Inactivated-state cryo-EM structure of human TRPV3 in presence of 2-APB in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-aminoethyl diphenylborinate, SODIUM ION, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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6H10
| Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | Deposit date: | 2018-07-10 | Release date: | 2020-01-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.104 Å) | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073 To be published
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6SQL
| Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide | Authors: | Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2019-09-04 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors. J.Med.Chem., 63, 2020
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8V6L
| Open-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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7TEH
| Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-05 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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8V6M
| Inactivated-state cryo-EM structure of human TRPV3 in presence of tetrahydrocannabivarin (THCV) in cNW30 nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Tetrahydrocannabivarin, ... | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | Deposit date: | 2023-12-01 | Release date: | 2024-04-17 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site. Sci Adv, 10, 2024
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5KVH
| Crystal structure of human apoptosis-inducing factor with W196A mutation | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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7TDU
| Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | Deposit date: | 2022-01-03 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Nat Commun, 13, 2022
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6GRG
| E. coli Microcin synthetase McbBCD complex with pro-MccB17, ADP and phosphate bound | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ghilarov, D, Stevenson, C.E.M, Travin, D.Y, Piskunova, J, Serebryakova, M, Maxwell, A, Lawson, D.M, Severinov, K. | Deposit date: | 2018-06-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Architecture of Microcin B17 Synthetase: An Octameric Protein Complex Converting a Ribosomally Synthesized Peptide into a DNA Gyrase Poison. Mol. Cell, 73, 2019
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5KZS
| Listeria monocytogenes internalin-like protein lmo2027 | Descriptor: | Putative cell surface protein, similar to internalin proteins | Authors: | Light, S.H, Nocadello, S, Minasov, G, Cardona-Correa, A, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-07-25 | Release date: | 2017-07-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing. Plos Pathog., 14, 2018
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8VC8
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6C6Q
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8UM9
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4XDL
| Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative. | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[2-bromanyl-4-(trifluoromethyl)phenoxy]-N-methyl-3-phenyl-propan-1-amine, CADMIUM ION, ... | Authors: | Mackenzie, A, Pike, A.C.W, Dong, Y.Y, Mukhopadhyay, S, Ruda, G.F, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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7OVB
| L. pneumophila Type IV Coupling Complex (T4CC) with density for DotY N-terminal and middle domains | Descriptor: | DotY, DotZ, IcmJ (DotN), ... | Authors: | Mace, K, Meir, A, Lukoyanova, N, Waksman, G. | Deposit date: | 2021-06-14 | Release date: | 2021-12-01 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.61 Å) | Cite: | Proteins DotY and DotZ modulate the dynamics and localization of the type IVB coupling complex of Legionella pneumophila. Mol.Microbiol., 117, 2022
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6SIU
| Crystal structure of IbpAFic2 covalently tethered to Cdc42 | Descriptor: | Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2019-08-12 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture. Nat.Chem., 12, 2020
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5L98
| Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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8UMB
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6YXT
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7STO
| Chitin Synthase 2 from Candida albicans bound to polyoxin D | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name), Chitin synthase | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | Deposit date: | 2021-11-14 | Release date: | 2022-07-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans. Nat.Struct.Mol.Biol., 29, 2022
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6SFU
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4XHD
| STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Khan, J.A, Camac, D.M. | Deposit date: | 2015-01-05 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR. J.Mol.Biol., 427, 2015
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6WOQ
| Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody HC1AM and non neutralizing antibody E1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ... | Authors: | Tzarum, N, Wilson, I.A, Law, M. | Deposit date: | 2020-04-25 | Release date: | 2020-08-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.667 Å) | Cite: | An alternate conformation of HCV E2 neutralizing face as an additional vaccine target. Sci Adv, 6, 2020
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8UVU
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7STM
| Chitin Synthase 2 from Candida albicans bound to UDP-GlcNAc | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Chitin synthase, MAGNESIUM ION, ... | Authors: | Ren, Z, Chhetri, A, Lee, S, Yokoyama, K. | Deposit date: | 2021-11-14 | Release date: | 2022-07-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Structural basis for inhibition and regulation of a chitin synthase from Candida albicans. Nat.Struct.Mol.Biol., 29, 2022
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