7QP9
 
 | | Outward-facing apo-form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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6HW3
 | | Yeast 20S proteasome in complex with 13 | | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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6WKA
 | | human carbonic anhydrase II bound to an inhibitor modified with azidothymidine | | Descriptor: | 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine, Carbonic anhydrase 2, ZINC ION | | Authors: | Peat, T.S. | | Deposit date: | 2020-04-15 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Azidothymidine "Clicked" into 1,2,3-Triazoles: First Report on Carbonic Anhydrase-Telomerase Dual-Hybrid Inhibitors.
J.Med.Chem., 63, 2020
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7Q5D
 | | Structure of EPCR in a non-canonical conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | | Authors: | Lopez-Sagaseta, J, Erausquin, E. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of EPCR in a non-canonical conformation
Biorxiv, 2021
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6OA3
 | | Structure of human PARG complexed with JA2131 | | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | | Deposit date: | 2019-03-15 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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6RZ8
 | | Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ... | | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-12-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
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6RJ8
 | | Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | | Deposit date: | 2019-04-26 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
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8PEM
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5LHS
 | | The ligand free catalytic domain of murine urokinase-type plasminogen activator | | Descriptor: | NICKEL (II) ION, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | | Deposit date: | 2016-07-12 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.047 Å) | | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
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5LI9
 | | Structure of a nucleotide-bound form of PKCiota core kinase domain | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ivanova, M.E, Purkiss, A.G, McDonald, N.Q. | | Deposit date: | 2016-07-14 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | aPKC Inhibition by Par3 CR3 Flanking Regions Controls Substrate Access and Underpins Apical-Junctional Polarization.
Dev.Cell, 38, 2016
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7QPC
 | | Inward-facing NPA bound form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(naphthalen-1-ylcarbamoyl)benzoic acid, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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5LJY
 | | Structure of hantavirus envelope glycoprotein Gc in complex with scFv A5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT HEXAMMINE(III), Envelopment polyprotein, ... | | Authors: | Guardado-Calvo, P, Stettner, E, Jeffers, S.A, Rey, F.A. | | Deposit date: | 2016-07-20 | | Release date: | 2016-09-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
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8PAJ
 | | Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
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5LL0
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8PEQ
 | | Complex of diubiquitin-derived artificial binding protein (Affilin) variant Af2 with its target oncofetal fibronectin (fragment 7B8) | | Descriptor: | Affilin variant Af2, Fibronectin, SULFATE ION | | Authors: | Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A. | | Deposit date: | 2023-06-14 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage.
Commun Biol, 7, 2024
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8POT
 | | Ternary complex of E. coli leucyl-tRNA synthetase, tRNA(leu) and the benzoxaborole cmpd9 in the editing conformation | | Descriptor: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, [(1R,3'S,5S,6R,8R)-3'-(aminomethyl)-8-(6-aminopurin-9-yl)-4'-bromanyl-7'-[3-[methyl-(phenylmethyl)amino]propoxy]spiro[2,4,7-trioxa-3$l^{4}-borabicyclo[3.3.0]octane-3,1'-3H-2,1$l^{4}-benzoxaborole]-6-yl]methyl dihydrogen phosphate, ... | | Authors: | Palencia, A, Hoffmann, G. | | Deposit date: | 2023-07-05 | | Release date: | 2024-06-12 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.149 Å) | | Cite: | Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
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5LM9
 | | Structure of E. coli NusA | | Descriptor: | MAGNESIUM ION, SULFATE ION, Transcription termination/antitermination protein NusA | | Authors: | Said, N, Weber, G, Santos, K, Wahl, M.C. | | Deposit date: | 2016-07-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | Structural basis for lambda N-dependent processive transcription antitermination.
Nat Microbiol, 2, 2017
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7QOA
 | | Structure of CodB, a cytosine transporter in an outward-facing conformation | | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | | Authors: | Hatton, C.E, Cameron, A.D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
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8PAK
 | | Crystal Structure of a Squalene-Hopene Cyclase from Cystobacter fuscus | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | | Authors: | Worthy, H.L, Mitchell, D.E, Isupov, M.N, Littlechild, J.A. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure of Mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
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5M1N
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Manganese | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, Phage terminase large subunit, ... | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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6BAK
 | | The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | | Authors: | Schmidt, M, Stojkovic, E. | | Deposit date: | 2017-10-13 | | Release date: | 2018-09-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome.
IUCrJ, 5, 2018
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8AVV
 | | Cryo-EM structure of DrBphP photosensory module in Pr state | | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome,Response regulator | | Authors: | Wahlgren, W.Y, Takala, H, Westenhoff, S. | | Deposit date: | 2022-08-27 | | Release date: | 2022-12-21 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural mechanism of signal transduction in a phytochrome histidine kinase.
Nat Commun, 13, 2022
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7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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6HVR
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 16 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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6RV4
 | | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-30 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
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