PDB: 35712 resultsInfo pagesStatus searchChemie searchBIRD

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1T3P	Half-sandwich arene ruthenium(II)-enzyme complex Descriptor: ACETATE ION, CHLORIDE ION, Lysozyme C, ... Authors: McNae, I.W, Fishburne, K, Habtemariam, A, Hunter, T.M, Melchart, M, Wang, F, Walkinshaw, M.D, Sadler, P.J. Deposit date: 2004-04-27 Release date: 2005-07-26 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Half-sandwich arene ruthenium(II)-enzyme complex CHEM.COMMUN.(CAMB.), 16, 2004
1T0O	The structure of alpha-galactosidase from Trichoderma reesei complexed with beta-D-galactose Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Golubev, A.M, Nagem, R.A.P, Brandao Neto, J.R, Neustroev, K.N, Eneyskaya, E.V, Kulminskaya, A.A, Shabalin, K.A, Savel'ev, A.N, Polikarpov, I. Deposit date: 2004-04-12 Release date: 2004-10-12 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.96 Å) Cite: Crystal structure of alpha-galactosidase from Trichoderma reesei and its complex with galactose: implications for catalytic mechanism J.Mol.Biol., 339, 2004
1T4G	ATPase in complex with AMP-PNP Descriptor: DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Wu, Y, He, Y, Moya, I.A, Qian, X, Luo, Y. Deposit date: 2004-04-29 Release date: 2004-08-17 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Archaeal Recombinase RadA; A Snapshot of Its Extended Conformation. Mol.Cell, 15, 2004
4NU9	2.30 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-free Cys289 Descriptor: Betaine aldehyde dehydrogenase, SODIUM ION Authors: Halavaty, A.S, Minasov, G, Dubrovska, I, Stam, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2013-12-03 Release date: 2013-12-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
7JJT	Ruminococcus bromii amylase Amy5 (RBR_07800) Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Alpha-amylase, ... Authors: Cerqueira, F, Koropatkin, N. Deposit date: 2020-07-27 Release date: 2021-06-23 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.66 Å) Cite: The structures of the GH13_36 amylases from Eubacterium rectale and Ruminococcus bromii reveal subsite architectures that favor maltose production Amylase, 4, 2020
1T6V	Crystal structure analysis of the nurse shark new antigen receptor (NAR) variable domain in complex with lysozyme Descriptor: CHLORIDE ION, Lysozyme C, novel antigen receptor Authors: Stanfield, R.L, Dooley, H, Flajnik, M.F, Wilson, I.A. Deposit date: 2004-05-07 Release date: 2004-08-24 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Crystal structure of a shark single-domain antibody V region in complex with lysozyme. Science, 305, 2004
4NYU	Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in C 2 2 21 Descriptor: ACETATE ION, CALCIUM ION, Deacetylase DA1, ... Authors: Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. Deposit date: 2013-12-11 Release date: 2014-08-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
1T87	Crystal Structure of the Ferrous CO-bound Cytochrome P450cam (C334A) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CARBON MONOXIDE, ... Authors: Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. Deposit date: 2004-05-11 Release date: 2004-05-25 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
1TA4	Crystal Structure Of Aspartate-Semialdehyde Dehydrogenase From Haemophilus Influenzae with a Bound Arsenate Descriptor: ARSENATE, Aspartate-semialdehyde dehydrogenase Authors: Viola, R.E. Deposit date: 2004-05-19 Release date: 2004-12-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Structural basis for discrimination between oxyanion substrates or inhibitors in aspartate-beta-semialdehyde dehydrogenase. Acta Crystallogr.,Sect.D, 60, 2004
1T88	Crystal Structure of the Ferrous Cytochrome P450cam (C334A) Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... Authors: Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. Deposit date: 2004-05-11 Release date: 2004-05-25 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
1TDY	DISSECTION OF THE FUNCTIONAL ROLE OF STRUCTURAL ELEMENTS OF TYROSINE-63 IN THE CATALYTIC ACTION OF HUMAN LYSOZYME Descriptor: HUMAN LYSOZYME Authors: Harata, K, Muraki, M, Jigami, Y. Deposit date: 1992-08-06 Release date: 1993-01-15 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Dissection of the functional role of structural elements of tyrosine-63 in the catalytic action of human lysozyme. Biochemistry, 31, 1992
1VQL	The structure of the transition state analogue "DCSN" bound to the large ribosomal subunit of haloarcula marismortui Descriptor: 23S ribosomal rna, 5'-R(*CP*CP*(PPU)*(TSE)*(DA)*CP*C)-3', 50S RIBOSOMAL PROTEIN L10E, ... Authors: Schmeing, T.M, Steitz, T.A. Deposit date: 2004-12-16 Release date: 2005-11-29 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction. Mol.Cell, 20, 2005
4NXL	Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis Descriptor: DszC Authors: Zhang, L, Duan, X, Li, X, Rao, Z. Deposit date: 2013-12-09 Release date: 2014-07-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural insights into the stabilization of active, tetrameric DszC by its C-terminus. Proteins, 82, 2014
4O4P	Structure of P450 BM3 A82F F87V in complex with S-omeprazol Descriptor: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE Authors: Leys, D. Deposit date: 2013-12-19 Release date: 2014-01-29 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3. Biochem.J., 460, 2014
4NZB	NS9283 bound to Ls-AChBP Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ... Authors: Olsen, J.A, Kastrup, J.S, Gajhede, M. Deposit date: 2013-12-11 Release date: 2014-07-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.68 Å) Cite: Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors. J.Biol.Chem., 289, 2014
4NZ4	Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and zinc ion Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... Authors: Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. Deposit date: 2013-12-11 Release date: 2014-08-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.944 Å) Cite: Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
1VKM	Crystal structure of an indigoidine synthase a (idga)-like protein (tm1464) from thermotoga maritima msb8 at 1.90 A resolution Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, UNKNOWN LIGAND, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2004-06-09 Release date: 2004-06-29 Last modified: 2023-01-25 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of an indigoidine synthase A (IndA)-like protein (TM1464) from Thermotoga maritima at 1.90 A resolution reveals a new fold. Proteins, 59, 2005
7JJ1	Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein Descriptor: CETYL-TRIMETHYL-AMMONIUM, Cytochrome P450 51, IMIDAZOLE, ... Authors: Zhao, B, Lamb, D.C. Deposit date: 2020-07-24 Release date: 2021-07-28 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3 Å) Cite: Crystal structure of the sterol 14alpha-demethylase-ferredoxin (CYP51-fx) heme domain and architectural comparison to the whole fusion protein To Be Published
5R8A	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA Descriptor: Interleukin-1 beta, SULFATE ION, ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8O	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1881545321 in complex with INTERLEUKIN-1 BETA Descriptor: 5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R97	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha Descriptor: 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, CHLORIDE ION, MAGNESIUM ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.438 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
4NZZ	Crystal structure of epoxide hydrolase from bacillus megaterium Descriptor: Soluble epoxide hydrolase Authors: Kong, X.D, Zhou, J.H, Xu, J.H. Deposit date: 2013-12-13 Release date: 2014-10-29 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates. Proc.Natl.Acad.Sci.USA, 111, 2014
5R9L	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14274a in complex with MAP kinase p38-alpha Descriptor: (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol, CHLORIDE ION, MAGNESIUM ION, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8M	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 in complex with INTERLEUKIN-1 BETA Descriptor: 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one, Interleukin-1 beta, SULFATE ION Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-03 Release date: 2020-04-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5RA3	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N10836b in complex with MAP kinase p38-alpha Descriptor: (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... Authors: De Nicola, G.F, Nichols, C.E. Deposit date: 2020-03-04 Release date: 2020-07-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020

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