PDB: 242842 resultsInfo pagesStatus searchChemie searchBIRD

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8QPQ	C1 turret to capsid interface of full Haloferax tailed virus 1 adjacent to the portal-capsid interface. Descriptor: HK97 gp5-like major capsid protein, MAGNESIUM ION, Prokaryotic polysaccharide deacetylase, ... Authors: Zhang, D, Daum, B, Isupov, M.N, McLaren, M. Deposit date: 2023-10-02 Release date: 2024-10-09 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: CryoEM structure of Haloferax tailed virus 1 To Be Published
6SXS	GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. Deposit date: 2019-09-26 Release date: 2020-02-26 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.859 Å) Cite: Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
6SXT	GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. Deposit date: 2019-09-26 Release date: 2020-02-26 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.466 Å) Cite: Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases. J.Am.Chem.Soc., 142, 2020
3U2K	S. aureus GyrB ATPase domain in complex with a small molecule inhibitor Descriptor: 2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide, DNA gyrase subunit B, MAGNESIUM ION Authors: Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. Deposit date: 2011-10-03 Release date: 2012-01-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents. Antimicrob.Agents Chemother., 56, 2012
4MY6	EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH Descriptor: (3aR,5aS,8S,10aS)-1-[(3S,6R,8aS)-1'-[(2S)-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8a-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-10-oxidanylidene-2,3,3a,5a,8,10a-hexahydrodipyrrolo[3,2-b:3',1'-f]azepine-8-carboxylic acid, BROMIDE ION, Protein enabled homolog Authors: Barone, M, Roske, Y, Kuehne, R. Deposit date: 2013-09-27 Release date: 2014-10-15 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. Proc.Natl.Acad.Sci.USA, 112, 2015
4MQ6	Pantothenate synthase in complex with 2-(5-methoxy-2-(tosylcarbamoyl)-1H-indol-1-yl)acetic acid Descriptor: (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid, 1,2-ETHANEDIOL, ETHANOL, ... Authors: Silvestre, H.L, Blundell, T.L. Deposit date: 2013-09-15 Release date: 2014-08-27 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis. Chemmedchem, 11, 2016
3H83	2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' Descriptor: Hypoxanthine phosphoribosyltransferase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose Authors: Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2009-04-28 Release date: 2009-05-12 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.06 Å) Cite: 2.06 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' To be Published
3H8U	Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution Descriptor: GLYCEROL, NONAETHYLENE GLYCOL, SULFATE ION, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2009-04-29 Release date: 2009-05-12 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of uncharacterized conserved protein with double-stranded beta-helix domain (YP_001338853.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.80 A resolution To be published
6DMV	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Soaked for 40 s in 2 mM Mg2+ and 200 mM K+ at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-05 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOQ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C (dataset 2) Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.422 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DP5	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 40 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.432 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPG	Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with an RNA/DNA Hybrid: Reaction in 4 mM Mn2+ and 200 mM K+ for 240 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
3TIZ	CDK2 in complex with NSC 111848 Descriptor: 1,2-ETHANEDIOL, 1-{(E)-[(4-hydroxyphenyl)imino]methyl}naphthalen-2-ol, Cyclin-dependent kinase 2 Authors: Alam, R, Schonbrunn, E. Deposit date: 2011-08-22 Release date: 2012-08-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.02 Å) Cite: A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. Chembiochem, 13, 2012
6DO8	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 80 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.414 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOE	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 420 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.451 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6NMO	Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4 Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, DIMETHYL SULFOXIDE, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2019-01-11 Release date: 2020-01-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4. To be Published
6DOS	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 300 mM K+ for 120 s at 21 C (dataset 2) Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.318 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DP6	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 80 mM Mg2+ and 75 mM K+ for 40 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.403 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DPH	Crystal Structure of Bacillus Halodurans Ribonuclease H1 E188A in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mn2+ and 200 mM K+ for 120 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.339 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
4YEP	L4b Domain of Human Laminin alpha-2 Descriptor: 1,2-ETHANEDIOL, Laminin subunit alpha-2 Authors: Toot, M, Gat, Y, Fass, D. Deposit date: 2015-02-24 Release date: 2015-05-27 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Laminin L4 domain structure resembles adhesion modules in ephrin receptor and other transmembrane glycoproteins. Febs J., 282, 2015
8QZ6	Structure of human ceramide synthase 6 (CerS6) bound to C16:0 Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Ceramide synthase 6, ... Authors: Pascoa, T.C, Pike, A.C.W, Chi, G, Stefanic, S, Quigley, A, Chalk, R, Mukhopadhyay, S.M.M, Venkaya, S, Dix, C, Moreira, T, Tessitore, A, Cole, V, Chu, A, Elkins, J.M, Pautsch, A, Schnapp, G, Carpenter, E.P, Sauer, D.B. Deposit date: 2023-10-26 Release date: 2024-11-13 Last modified: 2025-03-26 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structural basis of the mechanism and inhibition of a human ceramide synthase. Nat.Struct.Mol.Biol., 32, 2025
8R0Q	Pim1 in complex with 6-bromo-1H-benzo[d]imidazol-2-amine and Pimtide Descriptor: 1,2-ETHANEDIOL, 6-bromo-1H-benzo[d]imidazol-2-amine, CHLORIDE ION, ... Authors: Hochban, P.M.M, Heine, A, Diederich, W.E. Deposit date: 2023-10-31 Release date: 2024-11-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Pim1 in complex with 6-bromo-1H-benzo[d]imidazol-2-amine and Pimtide To Be Published
3TQU	Structure of a HAM1 protein from Coxiella burnetii Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Non-canonical purine NTP pyrophosphatase Authors: Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. Deposit date: 2011-09-09 Release date: 2011-09-21 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
6DO9	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018
6DOJ	Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 5 mM K+ for 120 s at 21 C Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2018-06-09 Release date: 2018-08-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.403 Å) Cite: Cation trafficking propels RNA hydrolysis. Nat. Struct. Mol. Biol., 25, 2018

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