5IOR
 
 | | Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate | | Descriptor: | 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ... | | Authors: | Bernard, S.M, Stull, F.W, Smith, J.L. | | Deposit date: | 2016-03-08 | | Release date: | 2016-06-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
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5IOZ
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(cyclopentylmethyl)cyclopentanecarboxamide at 2.02A resolution | | Descriptor: | N-(cyclopentylmethyl)cyclopentanecarboxamide, TetR-family transcriptional regulatory repressor protein | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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5IP6
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution | | Descriptor: | N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide, TetR-family transcriptional regulatory repressor protein | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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5UNV
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[3-((methylamino)methyl)phenethyl]quinolin-2-amine | | Descriptor: | 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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7F6F
 | | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CITRIC ACID, ... | | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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5UO9
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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5IQF
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7F6P
 | | Crystal structure of metal-citrate-binding mutant (D28A) protein (MctA) of ABC transporter endogenously bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CARBON DIOXIDE, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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7FBH
 | | geranyl pyrophosphate C6-methyltransferase BezA | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BezA, ... | | Authors: | Tsutsumi, H, Moriwaki, Y, Terada, T, Shimizu, K, Katsuyama, Y, Ohnishi, Y. | | Deposit date: | 2021-07-10 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Molecular Basis of the Catalytic Mechanism of Geranyl Pyrophosphate C6-Methyltransferase: Creation of an Unprecedented Farnesyl Pyrophosphate C6-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5FU4
 | | The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition | | Descriptor: | CBM74-RFGH5, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | | Authors: | Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5UQ1
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7F6R
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7F6E
 | | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to Mg2+-citrate complex (Form I) | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, CARBON DIOXIDE, ... | | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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5URT
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5UL0
 | | S. CEREVISIAE CYP51 COMPLEXED WITH VT-1161 | | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ... | | Authors: | Tyndall, J.D, Keniya, M.V, Sabherwal, M, Monk, B.C. | | Deposit date: | 2017-01-23 | | Release date: | 2017-02-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Azole Resistance Reduces Susceptibility to the Tetrazole Antifungal VT-1161.
Antimicrob.Agents Chemother., 63, 2019
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5IT2
 | | Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment | | Descriptor: | heavy chain, light chain | | Authors: | Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M. | | Deposit date: | 2016-03-16 | | Release date: | 2017-03-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High abundance of plasma cells secreting transglutaminase 2-specific IgA autoantibodies with limited somatic hypermutation in celiac disease intestinal lesions
Nat. Med., 18, 2012
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5F98
 | | Crystal structure of RIG-I in complex with Cap-0 RNA | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ... | | Authors: | Wang, C, Marcotrigiano, J, Miller, M, Jiang, F. | | Deposit date: | 2015-12-09 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5FAC
 | | Alanine Racemase from Streptomyces coelicolor A3(2) | | Descriptor: | Alanine racemase, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Tassoni, R, Pannu, N.S. | | Deposit date: | 2015-12-11 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional characterization of the alanine racemase from Streptomyces coelicolor A3(2).
Biochem. Biophys. Res. Commun., 483, 2017
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5FWT
 | | Wnt modulator Kremen crystal form I at 2.10A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ... | | Authors: | Zebisch, M, Jackson, V.A, Jones, E.Y. | | Deposit date: | 2016-02-21 | | Release date: | 2016-07-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
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7F6K
 | | Crystal structure of metal-citrate-binding protein (MctA) of ABC transporter endogenously bound to citrate | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Kanaujia, S.P, Mandal, S.K, Gogoi, P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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7F6N
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7F6U
 | | Crystal structure of metal-citrate-binding mutant (Y221A) protein (MctA) of ABC transporter in apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-(hydroxymethyl)butane-1,4-diol, 2-HYDROXY BUTANE-1,4-DIOL, ... | | Authors: | Kanaujia, S.P, Mandal, S.K. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily.
Acta Crystallogr D Struct Biol, 77, 2021
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5UX5
 | | Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense | | Descriptor: | BIFUNCTIONAL PROTEIN Proline utilization A (PutA), FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Tanner, J.J. | | Deposit date: | 2017-02-22 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and characterization of a class 3B proline utilization A: Ligand-induced dimerization and importance of the C-terminal domain for catalysis.
J. Biol. Chem., 292, 2017
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5ITC
 | | 2.2-Angstrom in meso crystal structure of Haloquadratum Walsbyi Bacteriorhodopsin (HwBR) from Styrene Maleic Acid (SMA) Polymer Nanodiscs | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Bacteriorhodopsin-I, ... | | Authors: | Broecker, J, Eger, B.T, Ernst, O.P. | | Deposit date: | 2016-03-16 | | Release date: | 2017-01-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystallogenesis of Membrane Proteins Mediated by Polymer-Bounded Lipid Nanodiscs.
Structure, 25, 2017
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5FVW
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl)ethyl) pyridin-2-amine | | Descriptor: | 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2016-02-10 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.
J.Med.Chem., 59, 2016
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