7XJ1
 
 | | Structure of human TRPV3_G573S in complex with Trpvicin in C2 symmetry | | Descriptor: | Fusion protein of Transient receptor potential cation channel subfamily V member 3 and 3C-GFP, N-[5-[2-(2-cyanopropan-2-yl)pyridin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxy-pyrimidine-5-carboxamide, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Fan, J, Yue, Z, Jiang, D, Lei, X. | | Deposit date: | 2022-04-14 | | Release date: | 2022-11-09 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural basis of TRPV3 inhibition by an antagonist.
Nat.Chem.Biol., 19, 2023
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6W4E
 | | NMR-driven structure of KRAS4B-GTP homodimer on a lipid bilayer nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Apolipoprotein A-I, ... | | Authors: | Lee, K, Fang, Z, Enomoto, M, Gasmi-Seabrook, G.M, Zheng, L, Marshall, C.B, Ikura, M. | | Deposit date: | 2020-03-10 | | Release date: | 2020-04-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Two Distinct Structures of Membrane-Associated Homodimers of GTP- and GDP-Bound KRAS4B Revealed by Paramagnetic Relaxation Enhancement.
Angew.Chem.Int.Ed.Engl., 59, 2020
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2L94
 | | Structure of the HIV-1 frameshift site RNA bound to a small molecule inhibitor of viral replication | | Descriptor: | N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium, RNA_(45-MER) | | Authors: | Marcheschi, R.J, Tonelli, M, Kumar, A, Butcher, S.E. | | Deposit date: | 2011-01-29 | | Release date: | 2011-06-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the HIV-1 Frameshift Site RNA Bound to a Small Molecule Inhibitor of Viral Replication.
Acs Chem.Biol., 6, 2011
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6KK6
 | | Crystal structure of Zika NS2B-NS3 protease with compound 16 | | Descriptor: | 1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, NS3 protease, ... | | Authors: | Quek, J.P. | | Deposit date: | 2019-07-23 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
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5BX1
 | | Crystal Structure of PRL-1 complex with compound analogy 3 | | Descriptor: | 3-(5,6-dimethyl-2H-isoindol-2-yl)-N'-[(E)-furan-2-ylmethylidene]benzohydrazide, Protein tyrosine phosphatase type IVA 1, SULFATE ION | | Authors: | Liu, S, Bai, Y, Zhang, Z. | | Deposit date: | 2015-06-08 | | Release date: | 2016-12-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of PRL-1 complex with compound analogy 3
To Be Published
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4PID
 | | Crystal structure of human adenovirus 2 protease with a weak pyrimidine nitrile inhibitor | | Descriptor: | ACETATE ION, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide, Pre-protein VI, ... | | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | | Deposit date: | 2014-05-08 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
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6KK4
 | | Crystal structure of Zika NS2B-NS3 protease with compound 9 | | Descriptor: | 1-[(9~{R},16~{S},19~{S})-16,19-bis(4-azanylbutyl)-4,8,15,18,21-pentakis(oxidanylidene)-3,7,14,17,20-pentazabicyclo[21.3.1]heptacosa-1(26),23(27),24-trien-9-yl]guanidine, GLYCEROL, NS3 protease, ... | | Authors: | Quek, J.P. | | Deposit date: | 2019-07-23 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses.
Chemmedchem, 15, 2020
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3OEO
 | | The crystal structure E. coli Spy | | Descriptor: | CADMIUM ION, Spheroplast protein Y | | Authors: | Kwon, E, Kim, D.Y, Gross, C.A, Gross, J.D, Kim, K.K. | | Deposit date: | 2010-08-13 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure Escherichia coli Spy.
Protein Sci., 19, 2010
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4GX9
 | | Crystal structure of a DNA polymerase III alpha-epsilon chimera | | Descriptor: | DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha | | Authors: | Li, N, Horan, N, Xu, Z.-Q, Jacques, D, Dixon, N.E, Oakley, A.J. | | Deposit date: | 2012-09-04 | | Release date: | 2013-04-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
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4GSX
 | | High resolution structure of dengue virus serotype 1 sE containing stem | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | | Deposit date: | 2012-08-28 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
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7EW1
 | | Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein | | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
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7EVY
 | | Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H. | | Deposit date: | 2021-05-24 | | Release date: | 2021-09-29 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.98 Å) | | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
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2RMA
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2RMB
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4GT0
 | | Structure of dengue virus serotype 1 sE containing stem to residue 421 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Klein, D.E, Choi, J.L, Harrison, S.C. | | Deposit date: | 2012-08-28 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of a dengue virus envelope protein late-stage fusion intermediate.
J.Virol., 87, 2013
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3CZ4
 | | Native AphA class B acid phosphatase/phosphotransferase from E. coli | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Leone, R, Cappelletti, E, Benvenuti, M, Lentini, G, Thaller, M.C, Mangani, S. | | Deposit date: | 2008-04-28 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the catalytic mechanism of the bacterial class B phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases.
J.Mol.Biol., 384, 2008
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2UZO
 | | Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor | | Descriptor: | 4-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | Deposit date: | 2007-04-30 | | Release date: | 2007-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
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4Q0I
 | | Deinococcus radiodurans BphP PAS-GAF D207A mutant | | 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, ISOPROPYL ALCOHOL | | Authors: | Burgie, E.S, Vierstra, R.D. | | Deposit date: | 2014-04-02 | | Release date: | 2014-07-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
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4Q0H
 | | Deinococcus radiodurans BphP PAS-GAF | | 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, CHLORIDE ION, ... | | Authors: | Burgie, E.S, Vierstra, R.D. | | Deposit date: | 2014-04-02 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.157 Å) | | Cite: | Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion.
J.Biol.Chem., 289, 2014
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8XCE
 | | cocrystal structure of p53 in complex of B23 | | Descriptor: | 2-[(2~{Z})-2-(3-ethynylphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-ylidene]ethanoic acid, Cellular tumor antigen p53, ZINC ION | | Authors: | Wang, Z, Shujun, X, Yigang, T, Derun, Z, Jiaqi, W, Kai, K, Lu, M. | | Deposit date: | 2023-12-08 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | cocrystal structure of p53 in complex of B23
To Be Published
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3T1Y
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin | | Descriptor: | 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | | Deposit date: | 2011-07-22 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
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3T1H
 | | Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA lysine 3 (tRNALys3) bound to an mRNA with an AAA-codon in the A-site and Paromomycin | | Descriptor: | 16s rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F. | | Deposit date: | 2011-07-21 | | Release date: | 2012-01-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
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7Y1P
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1S1M
 | | Crystal Structure of E. Coli CTP Synthetase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CTP synthase, IODIDE ION, ... | | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | | Deposit date: | 2004-01-06 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Escherichia coli Cytidine Triphosphate Synthetase, a Nucleotide-Regulated Glutamine Amidotransferase/ATP-Dependent Amidoligase Fusion Protein and Homologue of Anticancer and Antiparasitic Drug Targets
Biochemistry, 43, 2004
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2YJT
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