PDB: 45118 resultsInfo pagesStatus searchChemie searchBIRD

---

4ZIX	Structure of HEWL using Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION Authors: Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. Deposit date: 2015-04-28 Release date: 2015-08-12 Last modified: 2019-12-25 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase IUCrJ, 2, 2015
1MMX	Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-fucose Descriptor: Aldose 1-epimerase, SODIUM ION, alpha-L-fucopyranose Authors: Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. Deposit date: 2002-09-04 Release date: 2002-09-18 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis. J.Biol.Chem., 277, 2002
6E3R	Structure of human DNA polymerase beta complexed with 8OA as the template base in a 1-nucleotide gapped DNA Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2018-07-14 Release date: 2019-04-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases. J. Am. Chem. Soc., 141, 2019
6DZ4	Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta-site Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. Deposit date: 2018-07-02 Release date: 2019-07-10 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal structure of Salmonella typhimurium Tryptophan Synthase with sodium ion at the metal coordination site and (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine at the beta site To be Published
6E3V	Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable TTP Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2018-07-15 Release date: 2019-04-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases. J. Am. Chem. Soc., 141, 2019
6E3W	Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable GTP Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2018-07-15 Release date: 2019-04-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Mutagenic Replication of the Major Oxidative Adenine Lesion 7,8-Dihydro-8-oxoadenine by Human DNA Polymerases. J. Am. Chem. Soc., 141, 2019
1WKY	Crystal structure of alkaline mannanase from Bacillus sp. strain JAMB-602: catalytic domain and its Carbohydrate Binding Module Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ... Authors: Akita, M, Takeda, N, Hirasawa, K, Sakai, H, Kawamoto, M, Yamamoto, M, Grant, W.D, Hatada, Y, Ito, S, Horikoshi, K. Deposit date: 2004-06-15 Release date: 2005-06-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystallization and preliminary X-ray study of alkaline mannanase from an alkaliphilic Bacillus isolate. Acta Crystallogr.,Sect.D, 60, 2004
6E3X	Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable ATP Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(A38) P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2018-07-15 Release date: 2019-04-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structure of human DNA polymerase beta complexed with 8OA in the template base paired with incoming non-hydrolyzable ATP To Be Published
4Z6F	Structure of human DNA polymerase beta 279NA mutant complexed with G in the template base paired with incoming non-hydrolyzable TTP and MANGANESE Descriptor: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(6OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... Authors: Koag, M.-C, Lee, S. Deposit date: 2015-04-04 Release date: 2016-04-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.444 Å) Cite: Insights into the effect of minor groove interactions and metal cofactors on mutagenic replication by human DNA polymerase beta. Biochem. J., 475, 2018
3I4Q	Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica Descriptor: APC40078, SODIUM ION Authors: Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) Deposit date: 2009-07-02 Release date: 2009-07-28 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
4ZLS	HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand) Descriptor: ACETATE ION, CHLORIDE ION, Protease, ... Authors: Wang, Y.-F, Agniswamy, J, Weber, I.T. Deposit date: 2015-05-01 Release date: 2015-07-15 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.53 Å) Cite: Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies. J.Med.Chem., 58, 2015
4ZJU	Structure of a NADH-dependent enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2015-04-29 Release date: 2015-05-13 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Structure of a NADH-dependent enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD to be published
1N11	D34 REGION OF HUMAN ANKYRIN-R AND LINKER Descriptor: Ankyrin, BROMIDE ION, CHLORIDE ION Authors: Michaely, P, Tomchick, D.R, Machius, M, Anderson, R.G.W. Deposit date: 2002-10-16 Release date: 2002-12-11 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of a 12 ANK repeat stack from human ankyrinR Embo J., 21, 2002
6E6G	KRAS G13D bound to GDP (K13GDP) Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Johnson, C.W, Mattos, C. Deposit date: 2018-07-24 Release date: 2019-07-31 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
1J70	CRYSTAL STRUCTURE OF YEAST ATP SULFURYLASE Descriptor: ATP SULPHURYLASE, PHOSPHATE ION, SODIUM ION Authors: Lalor, D.J, Schnyder, T, Saridakis, V, Pilloff, D.E, Dong, A, Tang, H, Leyh, T.S, Pai, E.F. Deposit date: 2001-05-15 Release date: 2003-06-17 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity. Protein Eng., 16, 2003
6EPZ	Structure of the periplasmic binding protein MelB (Atu4661) in complex with melibiose from Agrobacterium fabrum C58 Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Vigouroux, A, Morera, S. Deposit date: 2017-10-12 Release date: 2018-04-11 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum. J. Biol. Chem., 293, 2018
6E7J	HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand Descriptor: (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... Authors: Wang, Y.-F, Agniswamy, J, Weber, I.T. Deposit date: 2018-07-26 Release date: 2018-11-07 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
3HTL	Structure of the Corynebacterium diphtheriae major pilin SpaA points to a modular pilus assembly with stabilizing isopeptide bonds Descriptor: CALCIUM ION, Putative surface-anchored fimbrial subunit, SODIUM ION Authors: Kang, H.J, Paterson, N.G, Gaspar, A.H, Ton-That, H, Baker, E.N. Deposit date: 2009-06-11 Release date: 2009-09-15 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Corynebacterium diphtheriae shaft pilin SpaA is built of tandem Ig-like modules with stabilizing isopeptide and disulfide bonds Proc.Natl.Acad.Sci.USA, 106, 2009
3I6O	Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate, GLYCEROL, IODIDE ION, ... Authors: Chumanevich, A.A, Wang, Y.-F, Kovalevsky, A.Y, Weber, I.T. Deposit date: 2009-07-07 Release date: 2009-09-29 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Design, Synthesis, Protein-Ligand X-ray Structure, and Biological Evaluation of a Series of Novel Macrocyclic Human Immunodeficiency Virus-1 Protease Inhibitors to Combat Drug Resistance. J.Med.Chem., 52, 2009
5AZP	Crystal structure of a membrane protein from Pseudomonas aeruginosa Descriptor: (2S)-1-(pentanoyloxy)propan-2-yl hexanoate, ACETATE ION, FORMIC ACID, ... Authors: Yonehara, R, Yamashita, E, Nakagawa, A. Deposit date: 2015-10-21 Release date: 2016-06-08 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Crystal structures of OprN and OprJ, outer membrane factors of multidrug tripartite efflux pumps of Pseudomonas aeruginosa. Proteins, 84, 2016
7W8N	Microbial Hormone-sensitive lipase E53 wild type Descriptor: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... Authors: Yang, X, Li, Z, Xu, X, Li, J. Deposit date: 2021-12-08 Release date: 2022-02-23 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Mechanism and Structural Insights Into a Novel Esterase, E53, Isolated From Erythrobacter longus . Front Microbiol, 12, 2021
3V7K	Co-crystal structure of K72E variant of rat polymerase beta: Enzyme-DNA binary complex Descriptor: DNA (5'-D(P*AP*TP*GP*TP*GP*AP*GP*T)-3'), DNA (5'-D(P*CP*AP*AP*AP*CP*TP*CP*AP*CP*AP*A)-3'), DNA polymerase beta, ... Authors: Rangarajan, S, Jaeger, J. Deposit date: 2011-12-21 Release date: 2013-01-16 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.271 Å) Cite: Crystallographic studies of K72E mutant DNA polymerase explain loss of lyase function and reveal changes in the overall conformational state of the polymerase domain To be Published
5BPL	Crystal structure of ADP and Pi bound human Hsp70 NBD mutant R272K. Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... Authors: Narayanan, D, Engh, R.A. Deposit date: 2015-05-28 Release date: 2016-09-14 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Nucleotide binding to variants of the HSP70-NBD. To Be Published
7W4A	Cryo-EM structure of the gastric proton pump complexed with revaprazan Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... Authors: Abe, K, Tanaka, S, Morita, M, Yamagishi, T. Deposit date: 2021-11-26 Release date: 2022-03-02 Last modified: 2022-07-20 Method: ELECTRON MICROSCOPY (2.76 Å) Cite: Structural Basis for Binding of Potassium-Competitive Acid Blockers to the Gastric Proton Pump. J.Med.Chem., 65, 2022
5AXC	Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin Descriptor: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Kusakabe, Y, Ishihara, M, Tanaka, N. Deposit date: 2015-07-24 Release date: 2016-07-27 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Crystal structure of mouse SAHH complexed with 3'-keto aristeromycin To Be Published

<179180181182183184185186187188189190191192193194>