PDB: 45953 resultsInfo pagesStatus searchChemie searchBIRD

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7OMR	Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant Descriptor: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE Authors: Schenkmayerova, A, Marek, M. Deposit date: 2021-05-24 Release date: 2022-06-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
7OMD	Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A Descriptor: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ... Authors: Schenkmayerova, A, Janin, Y.L, Marek, M. Deposit date: 2021-05-21 Release date: 2022-06-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.601 Å) Cite: Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
5ZLF	CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629 Descriptor: MAGNESIUM ION, Octaprenyl diphosphate synthase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID Authors: Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. Deposit date: 2018-03-27 Release date: 2019-03-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.845 Å) Cite: Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
5ZE6	CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981 Descriptor: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase Authors: Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. Deposit date: 2018-02-26 Release date: 2019-02-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis. J.Med.Chem., 62, 2019
2I6T	Orthorhombic Structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A Descriptor: GLYCEROL, SULFATE ION, UBIQUITIN-CONJUGATING ENZYME E2-LIKE ISOFORM A Authors: Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Tempel, W, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. Deposit date: 2006-08-29 Release date: 2006-10-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Investigation into the L-lactate Dehydrogenase Domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A To be Published
6TY7	Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1 Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... Authors: Markova, K, Chaloupkova, R, Damborsky, J, Marek, M. Deposit date: 2020-01-15 Release date: 2021-01-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers Acs Catalysis, 11, 2021
7E30	Crystal structure of a novel alpha/beta hydrolase in apo form in complex with citrate Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRIC ACID, SULFATE ION, ... Authors: Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. Deposit date: 2021-02-07 Release date: 2022-02-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
7E31	Crystal structure of a novel alpha/beta hydrolase mutant in apo form Descriptor: TRIETHYLENE GLYCOL, alpha/beta hydrolase Authors: Gao, J, Han, X, Zheng, Y.Y, Liu, W.D. Deposit date: 2021-02-07 Release date: 2022-02-09 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Multiple Substrate Binding Mode-Guided Engineering of a Thermophilic PET Hydrolase. Acs Catalysis, 12, 2022
4RCG	Crystal Structure Analysis of MTB PEPCK without Mn+2 Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... Authors: Brynda, J, Dostal, J, Snasel, J, Fanfrlik, J, Pichova, I, Machova, I. Deposit date: 2014-09-16 Release date: 2015-04-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis. Plos One, 10, 2015
3FLR	Crystal structure of native octameric SAP-like pentraxin from Limulus polyphemus Descriptor: CALCIUM ION, SAP-like pentraxin Authors: Shrive, A.K, Greenhough, T.J, Armstrong, P.B. Deposit date: 2008-12-19 Release date: 2009-01-20 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations. J.Mol.Biol., 386, 2009
8OE6	Structure of hyperstable haloalkane dehalogenase variant DhaA231 Descriptor: CHLORIDE ION, MAGNESIUM ION, Structure of hyperstable haloalkane dehalogenase variant DhaA231 Authors: Marek, M. Deposit date: 2023-03-10 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (1.31 Å) Cite: Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
8OE2	Structure of hyperstable haloalkane dehalogenase variant DhaA223 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... Authors: Marek, M. Deposit date: 2023-03-10 Release date: 2024-01-17 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
3FLT	Crystal structure of PE-bound octameric SAP-like pentraxin from Limulus polyphemus Descriptor: CALCIUM ION, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, SAP-like pentraxin Authors: Shrive, A.K, Greenhough, T.J, Armstrong, P.B. Deposit date: 2008-12-19 Release date: 2009-01-20 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations. J.Mol.Biol., 386, 2009
6WRT	Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A/S158C variant bound to 3-nitro-tyrosine Descriptor: META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase Authors: Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. Deposit date: 2020-04-30 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
3FLP	Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus Descriptor: CALCIUM ION, SAP-like pentraxin Authors: Shrive, A.K, Greenhough, T.J, Armstrong, P.B. Deposit date: 2008-12-19 Release date: 2009-01-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations. J.Mol.Biol., 386, 2009
6WRK	Crystal structure of 3rd-generation Mj 3-nitro-tyrosine tRNA synthetase ("A7") bound to 3-nitro-tyrosine Descriptor: GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... Authors: Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. Deposit date: 2020-04-29 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
4R43	Crystal Structure Analysis of MTB PEPCK Descriptor: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... Authors: Brynda, J, Dostal, J, Pichova, I, Snasel, J, Fanfrlik, J, Machova, I. Deposit date: 2014-08-19 Release date: 2015-04-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis. Plos One, 10, 2015
6WRN	Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) C70A variant bound to 3-nitro-tyrosine Descriptor: META-NITRO-TYROSINE, SODIUM ION, Tyrosine--tRNA ligase Authors: Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. Deposit date: 2020-04-29 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
6WRQ	Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine Descriptor: GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... Authors: Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. Deposit date: 2020-04-29 Release date: 2020-07-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase. J.Mol.Biol., 432, 2020
7MBK	N-terminal domain of mouse surfactant protein B, 6W mutant Descriptor: Pulmonary surfactant-associated protein B Authors: Milicic, G, Rapoport, T.A. Deposit date: 2021-03-31 Release date: 2021-04-14 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.17 Å) Cite: Mechanism of Lamellar Body Formation by Lung Surfactant Protein B. Mol.Cell, 81, 2021
4TOT	Crystal structure of rat cyclophilin D in complex with a potent nonimmunosuppressive inhibitor Descriptor: HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... Authors: Knapp, M.S, Elling, R.A. Deposit date: 2014-06-06 Release date: 2014-11-12 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.39 Å) Cite: Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition. J.Med.Chem., 57, 2014
7MBV	Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA Descriptor: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Ruan, Z, Lu, W, Du, J, Haley, E. Deposit date: 2021-04-01 Release date: 2021-07-07 Last modified: 2021-07-28 Method: ELECTRON MICROSCOPY (2.8 Å) Cite: Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
2M1D	Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile solutions. Descriptor: Insulin Authors: Bocian, W, Kozerski, L. Deposit date: 2012-11-26 Release date: 2013-02-27 Last modified: 2013-05-22 Method: SOLUTION NMR Cite: Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions. J.Biomol.Nmr, 55, 2013
2M1E	Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions. Descriptor: Insulin Authors: Bocian, W, Kozerski, L. Deposit date: 2012-11-26 Release date: 2013-02-27 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions. J.Biomol.Nmr, 55, 2013
2JV1	NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures Descriptor: Insulin Authors: Bocian, W, Kozerski, L. Deposit date: 2007-09-11 Release date: 2007-12-11 Last modified: 2022-03-16 Method: SOLUTION NMR Cite: Structure of human insulin monomer in water/acetonitrile solution. J.Biomol.Nmr, 40, 2008

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