PDB: 243083 resultsInfo pagesStatus searchChemie searchBIRD

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6MN4	Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ... Authors: Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2018-10-01 Release date: 2018-10-24 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
5FE5	Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7) Descriptor: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ... Authors: Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2015-12-16 Release date: 2016-01-13 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
5AAF	Aurora A kinase bound to an imidazopyridine inhibitor (14a) Descriptor: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A Authors: McIntyre, P.J, Bayliss, R. Deposit date: 2015-07-24 Release date: 2015-09-02 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.78 Å) Cite: 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
6IBL	ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80 Descriptor: Camelid antibody fragment Nb80, HEGA-10, SODIUM ION, ... Authors: Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. Deposit date: 2018-11-30 Release date: 2019-01-09 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor. Nature, 583, 2020
1QPE	STRUCTURAL ANALYSIS OF THE LYMPHOCYTE-SPECIFIC KINASE LCK IN COMPLEX WITH NON-SELECTIVE AND SRC FAMILY SELECTIVE KINASE INHIBITORS Descriptor: 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, LCK KINASE, SULFATE ION Authors: Zhu, X, Morgenstern, K.A. Deposit date: 1999-05-24 Release date: 2000-05-31 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural analysis of the lymphocyte-specific kinase Lck in complex with non-selective and Src family selective kinase inhibitors. Structure Fold.Des., 7, 1999
4N13	Crystal Structure of PstS (BB_0215) from Borrelia burgdorferi Descriptor: 1,2-ETHANEDIOL, Phosphate ABC transporter, periplasmic phosphate-binding protein, ... Authors: Brautigam, C.A, Deka, R.K, Norgard, M.V. Deposit date: 2013-10-03 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Sequence, biophysical, and structural analyses of the PstS lipoprotein (BB0215) from Borrelia burgdorferi reveal a likely binding component of an ABC-type phosphate transporter. Protein Sci., 23, 2014
7CHZ	Crystal Structure Of Human Il-1beta In Complex With Antibody Binding Fragment Of IgG26A Descriptor: Interleukin-1 beta, heavy chain of antibody binding fragment of IgG26A, light chain of antibody binding fragment of IgG26A Authors: Lee, C.C, Wang, A.H.J, Kuo, W.C. Deposit date: 2020-07-06 Release date: 2021-01-13 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure-based Development of Human Interleukin-1 beta-Specific Antibody That Simultaneously Inhibits Binding to Both IL-1RI and IL-1RAcP. J.Mol.Biol., 433, 2020
3MOF	The structure of rat cytosolic PEPCK mutant A467G in complex with oxalate and GTP Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... Authors: Johnson, T.A, Holyoak, T. Deposit date: 2010-04-22 Release date: 2010-06-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Increasing the conformational entropy of the Omega-loop lid domain in phosphoenolpyruvate carboxykinase impairs catalysis and decreases catalytic fidelity . Biochemistry, 49, 2010
7V76	Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, one RBD-up conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-21 Release date: 2021-10-06 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, one RBD-up conformation To Be Published
7V7T	Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-21 Release date: 2021-10-06 Last modified: 2024-10-09 Method: ELECTRON MICROSCOPY (3 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), two RBD-up conformation 1 To Be Published
7CM3	Cryo-EM structure of human NALCN in complex with FAM155A Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Wu, J, Yan, Z, Ke, M. Deposit date: 2020-07-24 Release date: 2020-11-11 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structure of the human sodium leak channel NALCN in complex with FAM155A. Nat Commun, 11, 2020
7V7O	Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-21 Release date: 2021-10-06 Last modified: 2024-11-20 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2), one RBD-up conformation 1 To Be Published
6JVK	Crystal structure of human MTH1 in complex with compound MI1012 Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine Authors: Peng, C, Li, Y.H, Cheng, Y.S. Deposit date: 2019-04-17 Release date: 2020-10-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
7V86	Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-22 Release date: 2021-10-06 Last modified: 2024-11-06 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form To Be Published
6JVT	Crystal structure of human MTH1 in complex with compound MI1030 Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine-2,4-diamine Authors: Peng, C, Li, Y.H, Cheng, Y.S. Deposit date: 2019-04-17 Release date: 2020-10-28 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity. Bioorg.Chem., 110, 2021
5FCZ	Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX) Descriptor: 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol, B-N-acetylhexosaminidase, CHLORIDE ION, ... Authors: Vadlamani, G, Mark, B.L. Deposit date: 2015-12-15 Release date: 2016-10-26 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.45 Å) Cite: N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases. Chem.Commun.(Camb.), 52, 2016
7N9V	CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions Descriptor: Capsid protein, Nanobody-GYAR Authors: Tripler, T.N. Deposit date: 2021-06-18 Release date: 2022-06-22 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (3.45 Å) Cite: CA-targeting nanobody is a tool for studying HIV-1 capsid lattice interactions To Be Published
7V82	Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-22 Release date: 2021-10-06 Last modified: 2024-11-13 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Gamma variant (P.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1 To Be Published
7V89	Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-22 Release date: 2021-10-06 Last modified: 2025-07-02 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 1 To Be Published
6AA1	Crystal structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus bound with citrate Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... Authors: Kumar, P, Kesari, P, Ghosh, D.K, Kumar, P, Sharma, A.K. Deposit date: 2018-07-16 Release date: 2019-06-12 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Crystal structures of a putative periplasmic cystine-binding protein from Candidatus Liberibacter asiaticus: insights into an adapted mechanism of ligand binding. Febs J., 286, 2019
7V77	Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, two RBD-up conformation Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-21 Release date: 2021-10-06 Last modified: 2025-06-18 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Beta variant (B.1.351), uncleavable form, two RBD-up conformation To Be Published
5L7F	Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore Cy5,5 in space group P21. Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CALCIUM ION, ... Authors: Tepshi, L, Bordenave, T, Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. Deposit date: 2016-06-03 Release date: 2016-09-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical Probes. Bioconjug.Chem., 27, 2016
7V85	Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... Authors: Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. Deposit date: 2021-08-22 Release date: 2021-10-06 Last modified: 2024-10-16 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, two ACE2-bound form To Be Published
3M34	Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... Authors: Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2010-03-08 Release date: 2010-04-28 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion To be Published
2VP8	Structure of Mycobacterium tuberculosis Rv1207 Descriptor: 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2 Authors: Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T. Deposit date: 2008-02-27 Release date: 2008-08-12 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis. Fems Microbiol.Lett., 287, 2008

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