5IF8
 
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7LTP
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-19 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.47 Angstrom resolution.
To be Published
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7ZNV
 | | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
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5I55
 | | Crystal Structure of the Virulent PSM-alpha3 Peptide Forming a Cross-alpha amyloid-like Fibril | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Psm alpha-3 | | Authors: | Landau, M, Moshe, A, Tayeb-Fligelman, E, Sawaya, M.R, Coquelle, N, Colletier, J.-P. | | Deposit date: | 2016-02-14 | | Release date: | 2017-03-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The cytotoxic Staphylococcus aureus PSM alpha 3 reveals a cross-alpha amyloid-like fibril.
Science, 355, 2017
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8VO1
 | | Pathogenesis related 10-10 C155S mutant | | Descriptor: | Pathogenesis related 10-10 C155S mutant | | Authors: | Carr, S.C, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2024-01-14 | | Release date: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy.
Acta Crystallogr D Struct Biol, 80, 2024
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6VMV
 | | Crystal structure of the H767A mutant of GoxA soaked with glycine | | Descriptor: | Glycine oxidase, MAGNESIUM ION, SULFATE ION | | Authors: | Yukl, E.T. | | Deposit date: | 2020-01-28 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Roles of active-site residues in catalysis, substrate binding, cooperativity, and the reaction mechanism of the quinoprotein glycine oxidase.
J.Biol.Chem., 295, 2020
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8VPA
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with ADP | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5IFS
 | | Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | Authors: | Roske, Y, Arumughan, A, Heinemann, U, Wanker, E. | | Deposit date: | 2016-02-26 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
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8W2Q
 | | BsaXI-DNA complex II | | Descriptor: | DNA (41-MER), RM.BsaXI, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Shen, B.W, Stoddard, B.L, Xu, S. | | Deposit date: | 2024-02-21 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural and biochemical analysis of subunit assembly, DNA recognition and cleavage by a Type IIB restriction-modification enzyme: BsaXI
To Be Published
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7LW0
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8VPB
 | | Cryo-EM structure of the ABC transporter PCAT1 bound with MgADP_Class_2 | | Descriptor: | ABC-type bacteriocin transporter, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Zhang, R, Jagessar, K.L, Polasa, A, Brownd, M, Stein, R, Moradi, M, Karakas, E, Mchaourab, H.S. | | Deposit date: | 2024-01-16 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Conformational cycle of a protease-containing ABC transporter in lipid nanodiscs reveals the mechanism of cargo-protein coupling.
Nat Commun, 15, 2024
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5IG2
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7LV5
 | | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, BICINE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J. | | Deposit date: | 2021-02-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and L-Histidine at the enzyme beta-site at 1.55 Angstrom resolution
To be Published
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5VJV
 | | Rhizobiales-like phosphatase 2 | | Descriptor: | PHOSPHATE ION, Rhizobiales-like phosphatase 2, ZINC ION | | Authors: | Ng, K.K.S, Labandera, A, Moorhead, G. | | Deposit date: | 2017-04-20 | | Release date: | 2018-03-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for the preference of the Arabidopsis thalianaphosphatase RLPH2 for tyrosine-phosphorylated substrates.
Sci Signal, 11, 2018
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6VNX
 | | Crystal structure of TYK2 kinase with compound 19 | | Descriptor: | (1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Vajdos, F.F. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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8W2P
 | | BsaXI-DNA complex I | | Descriptor: | CALCIUM ION, DNA (41-MER) Complementary strand of BsaXI DNA substrate, DNA (41-MER) Top strand of BsaXI cognate DNA substrate, ... | | Authors: | Shen, B.W, Stoddard, B.L, Xu, S. | | Deposit date: | 2024-02-20 | | Release date: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Structural and biochemical analysis of subunit assembly, DNA recognition and cleavage by a Type IIB restriction-modification enzyme: BsaXI
To Be Published
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5I5X
 | | X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | | Authors: | Somers, D.O. | | Deposit date: | 2016-02-15 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
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6VO2
 | | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor. | | Descriptor: | 3-(methylsulfonyl)-2-oxopropanoic acid, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | | Authors: | Bayaraa, T, Patel, K.M, Guddat, L.W. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26, 2020
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8VGQ
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7LX1
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6VIL
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5IGJ
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8VWT
 | | OGG1 bound to a nucleosome containing 8oxoG at SHL-6 (composite map) | | Descriptor: | 601 I strand (non-damaged strand), 601 J strand (damaged strand), Histone H2A type 1, ... | | Authors: | Weaver, T.M, Ling, J.A, Freudenthal, B.D. | | Deposit date: | 2024-02-02 | | Release date: | 2024-10-30 | | Last modified: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Contributing factors to the oxidation-induced mutational landscape in human cells.
Nat Commun, 15, 2024
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6VJJ
 | | Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-01-16 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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8VWN
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