PDB: 243083 resultsInfo pagesStatus searchChemie searchBIRD

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5LIW	Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. Deposit date: 2016-07-15 Release date: 2016-07-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.75 Å) Cite: IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
4UTM	XenA - Reduced - Y183F variant in complex with 8-hydroxycoumarin Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 8-HYDROXYCOUMARIN, SULFATE ION, ... Authors: Werther, T, Dobbek, H. Deposit date: 2014-07-21 Release date: 2015-08-05 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.09 Å) Cite: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
4UTK	XenA - reduced - Y183F variant Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, SULFATE ION, XENOBIOTIC REDUCTASE Authors: Werther, T, Dobbek, H. Deposit date: 2014-07-21 Release date: 2015-08-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
7KOS	1.50 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58 Descriptor: FORMIC ACID, MALONIC ACID, Pterin Binding Protein, ... Authors: Minasov, G, Shuvalova, L, Dubrovska, I, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2020-11-09 Release date: 2021-11-17 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: 1.50 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58. To Be Published
7KOU	1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58 Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Pterin Binding Protein, ... Authors: Minasov, G, Shuvalova, L, Dubrovska, I, Pshenychnyi, S, Endres, M, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2020-11-10 Release date: 2021-11-17 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.83 Å) Cite: 1.83 Angstroms Resolution Crystal Structure of Putative Pterin Binding Protein PruR (Atu3496) from Agrobacterium fabrum str. C58. To Be Published
6PAK	Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Subtilisin E Authors: Tang, H, Shi, K, Aihara, H. Deposit date: 2019-06-11 Release date: 2019-10-23 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Enhancing subtilisin thermostability through a modified normalized B-factor analysis and loop-grafting strategy. J.Biol.Chem., 294, 2019
8GFO	Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with GC373 Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide Authors: Kovalevsky, A, Coates, L. Deposit date: 2023-03-08 Release date: 2023-07-12 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
3W8V	Crystal Structure Analysis of the synthetic GCN4 coiled coil peptide Descriptor: 1,2-ETHANEDIOL, GCN4n coiled coil peptide, PARA ACETAMIDO BENZOIC ACID Authors: Shahar, A, Zarivach, R, Ashkenasy, G. Deposit date: 2013-03-21 Release date: 2014-02-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A high-resolution structure that provides insight into coiled-coil thiodepsipeptide dynamic chemistry Angew.Chem.Int.Ed.Engl., 52, 2013
6OZR	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 15 min soak in 10 mM Mg2+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (23-MER), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6P09	Human DNA Ligase 1 Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+ Descriptor: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ... Authors: Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. Deposit date: 2019-05-16 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.052 Å) Cite: Two-tiered enforcement of high-fidelity DNA ligation. Nat Commun, 10, 2019
6OZM	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 10 min soak in 10 mM Mn2+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(P*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
4V4D	Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with pyrogallol Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,3-TRIOL, CALCIUM ION, ... Authors: Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. Deposit date: 2004-06-02 Release date: 2014-07-09 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
6OZO	Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 30 min soak in 10 mM Mn2+ Descriptor: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.235 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
4UWD	HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9) Descriptor: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE Authors: Chowdhury, R, Tarhonskaya, H, Schofield, C.J. Deposit date: 2014-08-11 Release date: 2014-08-27 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.721 Å) Cite: Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen. Biochem.J., 463, 2014
4UTL	XenA - reduced - Y183F variant in complex with coumarin Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COUMARIN, SULFATE ION, ... Authors: Werther, T, Dobbek, H. Deposit date: 2014-07-21 Release date: 2015-08-05 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.229 Å) Cite: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase Nat Commun, 8, 2017
6PGL	Structure of Kluyveromyces marxianus Usb1 with uridine monophosphate Descriptor: 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, ... Authors: Nomura, Y, Montemayor, E.J, Butcher, S.E. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.845 Å) Cite: Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1. Nucleic Acids Res., 48, 2020
4WDW	17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone Descriptor: 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Amano, Y, Yamaguchi, T. Deposit date: 2014-09-09 Release date: 2015-04-15 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
7KUU	LsfA from P. aeruginosa, a 1-Cys Prx in Sulfonic acid form Descriptor: Alkyl hydroperoxide reductase C Authors: AIeixo-Silva, R.L, Domingos, R.M, Netto, L.E.S. Deposit date: 2020-11-25 Release date: 2021-12-15 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of LsfA, a 1-Cys Prx in sulfonic acid form To Be Published
1J96	Human 3alpha-HSD type 3 in Ternary Complex with NADP and Testosterone Descriptor: 3alpha-hydroxysteroid dehydrogenase type 3, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... Authors: Nahoum, V, Labrie, F, Lin, S.-X. Deposit date: 2001-05-23 Release date: 2002-05-23 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structure of the human 3alpha-hydroxysteroid dehydrogenase type 3 in complex with testosterone and NADP at 1.25-A resolution. J.Biol.Chem., 276, 2001
6PF4	Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid Authors: Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. Deposit date: 2019-06-21 Release date: 2019-10-02 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.854 Å) Cite: Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
6OZF	Crystal structure of Thermotoga maritima (Tm) Endonuclease V (D110N) in complex with a 12mer DNA containing an inosine followed by a ribo-adenosine Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA/RNA (5'-D(P*AP*AP*TP*GP*I)-R(P*A)-D(P*GP*AP*TP*GP*CP*T)-3'), ... Authors: Samara, N.L, Yang, W. Deposit date: 2019-05-15 Release date: 2019-09-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase. Mol.Cell, 76, 2019
6P1U	Post-catalytic nicked complex of human DNA Polymerase Mu with 1-nt gapped substrate containing template 8OG and newly incorporated CMP Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. Deposit date: 2019-05-20 Release date: 2019-09-04 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine. Nucleic Acids Res., 47, 2019
4WDX	17beta-HSD5 in complex with [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(2-hydroxyethyl)piperidin-1-yl](5-methyl-1H-indol-2-yl)methanone Authors: Amano, Y, Yamaguchi, T. Deposit date: 2014-09-09 Release date: 2015-04-15 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
7OPN	Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... Authors: Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. Deposit date: 2021-06-01 Release date: 2021-09-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
6PM7	The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution Descriptor: Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE Authors: McPherson, A. Deposit date: 2019-07-01 Release date: 2020-05-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The structure of the triclinic crystal form of beef liver catalase at 1.85 A resolution to be published

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