5DCC
| X-RAY CRYSTAL STRUCTURE OF a TEBIPENEM ADDUCT OF L,D TRANSPEPTIDASE 2 FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pan, Y, Basta, L, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-08-23 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.451 Å) | Cite: | Structural insight into the inactivation of Mycobacterium tuberculosis non-classical transpeptidase LdtMt2 by biapenem and tebipenem. BMC Biochem., 18, 2017
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6G95
| Crystal structure of Ebolavirus glycoprotein in complex with thioridazine | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I. | Deposit date: | 2018-04-10 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs. J. Med. Chem., 61, 2018
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4RK2
| Crystal structure of sugar transporter RHE_PF00321 from Rhizobium etli, target EFI-510806, an open conformation | Descriptor: | ACETATE ION, CHLORIDE ION, Putative sugar ABC transporter, ... | 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: | 2014-11-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Sugar Transporter RHE_Pf00321 from Rhizobium Etli, Target EFI-510806 To be Published
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5IQI
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6QRO
| Crystal structure of Tannerella forsythia glutaminyl cyclase | Descriptor: | Glutamine cyclotransferase, SULFATE ION, ZINC ION | Authors: | Linnert, M, Piechotta, A, Parthier, C, Taudte, N, Kolenko, P, Rahfeld, J, Potempa, J, Stubbs, M.T. | Deposit date: | 2019-02-19 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mammalian-like type II glutaminyl cyclases in Porphyromonas gingivalis and other oral pathogenic bacteria as targets for treatment of periodontitis. J.Biol.Chem., 296, 2021
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5IOV
| Cryo-EM structure of GluN1/GluN2B NMDA receptor in the glutamate/glycine/Ro25-6981-bound conformation | Descriptor: | 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, GLUTAMIC ACID, GLYCINE, ... | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, Mchaourab, S.H, Gouaux, E. | Deposit date: | 2016-03-09 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Mechanism of NMDA Receptor Inhibition and Activation. Cell, 165, 2016
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7JUW
| Crystal Structure of KSR1:MEK1 in complex with AMP-PNP | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ... | Authors: | Khan, Z.M, Dar, A.C. | Deposit date: | 2020-08-20 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structural basis for the action of the drug trametinib at KSR-bound MEK. Nature, 588, 2020
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6FNE
| Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain | Descriptor: | (2~{S})-6-methyl-5-nitro-2-(trifluoromethyl)-2,3-dihydrochromen-4-one, IQ motif and SEC7 domain-containing protein 1, NONAETHYLENE GLYCOL | Authors: | Nawrotek, A, Zeghouf, M, Cherfils, J. | Deposit date: | 2018-02-03 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling. Nat.Chem.Biol., 15, 2019
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5IPV
| Cryo-EM structure of GluN1/GluN2B NMDA receptor in the DCKA/D-APV-bound conformation, state 1 | Descriptor: | Ionotropic glutamate receptor subunit NR2B, N-methyl-D-aspartate receptor subunit NR1-8a | Authors: | Zhu, S, Stein, A.R, Yoshioka, C, Lee, C.H, Goehring, A, McHaourab, S.H, Gouaux, E. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (9.25 Å) | Cite: | Mechanism of NMDA Receptor Inhibition and Activation. Cell, 165, 2016
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2XNW
| XPT-PBUX C74U RIBOSWITCH FROM B. SUBTILIS BOUND TO A TRIAZOLO- TRIAZOLE-DIAMINE LIGAND IDENTIFIED BY VIRTUAL SCREENING | Descriptor: | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium, ACETATE ION, COBALT HEXAMMINE(III), ... | Authors: | Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Brenk, R. | Deposit date: | 2010-08-06 | Release date: | 2011-04-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel ligands for a purine riboswitch discovered by RNA-ligand docking. Chem. Biol., 18, 2011
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8V8K
| Crystal Structure of Nanobody NbE | Descriptor: | Nanobody NbE | Authors: | Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M. | Deposit date: | 2023-12-05 | Release date: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist To Be Published
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6VKM
| Crystal Structure of Stabilized GP from Makona Variant of Ebola Virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein | Authors: | Gilman, M.S.A, Rutten, L, Langedijk, J.P.M, McLellan, J.S. | Deposit date: | 2020-01-21 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-Based Design of Prefusion-Stabilized Filovirus Glycoprotein Trimers. Cell Rep, 30, 2020
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6BPW
| Crystal structure of ferrous form of the Cl2-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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5JUB
| Crystal structure of ComR from S.thermophilus in complex with DNA and its signalling peptide ComS. | Descriptor: | ComS, Transcriptional regulator, pComX-for, ... | Authors: | Talagas, A, Fontaine, L, Ledesma-Garcia, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S. | Deposit date: | 2016-05-10 | Release date: | 2016-10-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS. PLoS Pathog., 12, 2016
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6FPW
| Structure of fully reduced Hydrogenase (Hyd-1) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Armstrong, F.A, Evans, R.M. | Deposit date: | 2018-02-12 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
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7K9L
| Aldolase, rabbit muscle (no beam-tilt refinement) | Descriptor: | Fructose-bisphosphate aldolase A | Authors: | Cianfrocco, M.A, Kearns, S.E, Cash, J.N, Li, Y. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | High-resolution cryo-EM using beam-image shift at 200 keV. Iucrj, 7, 2020
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5HAX
| Crystal structure of Chaetomium thermophilum Nup170 NTD-Nup53 complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoporin NUP170, ... | Authors: | Lin, D.H, Mobbs, G, Hoelz, A. | Deposit date: | 2015-12-31 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Architecture of the symmetric core of the nuclear pore. Science, 352, 2016
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7R5F
| Crystal structure of YTHDF2 with compound YLI_DF_012 | Descriptor: | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ... | Authors: | Nai, F, Li, Y, Caflisch, A. | Deposit date: | 2022-02-10 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
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8OSF
| AAA+ motor subunit ChlI of magnesium chelatase, hexamer conformation A | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Shvarev, D, Moeller, A. | Deposit date: | 2023-04-18 | Release date: | 2023-09-06 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Conformational variability of cyanobacterial ChlI, the AAA+ motor of magnesium chelatase involved in chlorophyll biosynthesis. Mbio, 14, 2023
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5HCG
| CRYSTAL STRUCTURE OF FREE-CODV. | Descriptor: | CODV heavy-chain, CODV light chain | Authors: | Vallee, F, Dupuy, A, Rak, A. | Deposit date: | 2016-01-04 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | CODV-Ig, a universal bispecific tetravalent and multifunctional immunoglobulin format for medical applications. Mabs, 8, 2016
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4RWE
| The crystal structure of a sugar-binding transport protein from Yersinia pestis CO92 | Descriptor: | CHLORIDE ION, GLYCEROL, Sugar-binding transport protein | Authors: | Tan, K, Zhou, M, Clancy, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-12-03 | Release date: | 2014-12-31 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structure of a sugar-binding transport protein from Yersinia pestis CO92 To be Published
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6FTD
| Deinococcus radiodurans BphP PAS-GAF H290T mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 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, ACETATE ION, ... | Authors: | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | Deposit date: | 2018-02-21 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Coordination of the biliverdin D-ring in bacteriophytochromes. Phys Chem Chem Phys, 20, 2018
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5D8B
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5JRK
| Crystal Structure of the Sphingopyxin I Lasso Peptide Isopeptidase SpI-IsoP (SeMet-derived) | Descriptor: | Dipeptidyl aminopeptidases/acylaminoacyl-peptidases-like protein, beta-D-glucopyranose | Authors: | Fage, C.D, Hegemann, J.D, Bange, G, Marahiel, M.A. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase. Angew.Chem.Int.Ed.Engl., 55, 2016
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7K4E
| Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30 | Descriptor: | 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6 | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | Deposit date: | 2020-09-15 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.34 Å) | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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