5VX2
| Mcl-1 in complex with Bim-h3Pc-RT | Descriptor: | 1,2-ETHANEDIOL, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog,Induced myeloid leukemia cell differentiation protein Mcl-1 chimera | Authors: | Cowan, A.D, Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
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6FZ6
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5KRD
| Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and 2-iodophenol (2IP) | Descriptor: | 2-iodanylphenol, FLAVIN MONONUCLEOTIDE, Nitroreductase | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase. Biochemistry, 56, 2017
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5KNI
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8GKS
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF291 inhibitor | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]benzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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5KOD
| Crystal Structure of GH3.5 Acyl Acid Amido Synthetase from Arabidopsis thaliana | Descriptor: | 1H-INDOL-3-YLACETIC ACID, ADENOSINE MONOPHOSPHATE, Indole-3-acetic acid-amido synthetase GH3.5, ... | Authors: | Jez, J.M, Westfall, C.S, Zubieta, C. | Deposit date: | 2016-06-30 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Arabidopsis thaliana GH3.5 acyl acid amido synthetase mediates metabolic crosstalk in auxin and salicylic acid homeostasis. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8GKU
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF355 inhibitor | Descriptor: | GLYCINE, N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKT
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF320 inhibitor | Descriptor: | N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{5-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]thiophene-2-carbonyl}-L-glutamic acid, Serine hydroxymethyltransferase, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKY
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF359 inhibitor | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKZ
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) Y105F in complex with PLP, glycine and AGF362 inhibitor | Descriptor: | GLYCINE, N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-3-fluorothiophene-2-carbonyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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8GKW
| Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF359 inhibitor | Descriptor: | GLYCINE, N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Katinas, J.M, Dann III, C.E. | Deposit date: | 2023-03-20 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural Characterization of 5-Substituted Pyrrolo[3,2- d ]pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry, 2024
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5KY4
| mouse POFUT1 in complex with mouse Notch1 EGF26 and GDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-21 | Release date: | 2017-05-17 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (1.472 Å) | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nat. Chem. Biol., 13, 2017
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5KY9
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5L0T
| human POGLUT1 in complex with EGF(+) and UDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-28 | Release date: | 2017-08-09 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1). Nat Commun, 8, 2017
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5L1H
| AMPA subtype ionotropic glutamate receptor GluA2 in complex with noncompetitive inhibitor GYKI53655 | Descriptor: | (8R)-5-(4-aminophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2 | Authors: | Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I. | Deposit date: | 2016-07-29 | Release date: | 2016-10-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.801 Å) | Cite: | Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs. Neuron, 91, 2016
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5KTZ
| expanded poliovirus in complex with VHH 12B | Descriptor: | Genome polyprotein, VHH 12B, VP1, ... | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-11-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State. J. Virol., 91, 2017
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6GVL
| Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | Descriptor: | Dystonin, Integrin beta-4 | Authors: | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | Deposit date: | 2018-06-21 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
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5WMK
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5KO8
| Crystal structure of haliscomenobacter hydrossis iodotyrosine deiodinase (IYD) bound to FMN and mono-iodotyrosine (I-Tyr) | Descriptor: | 3-IODO-TYROSINE, FLAVIN MONONUCLEOTIDE, Nitroreductase | Authors: | Ingavat, N, Kavran, J.M, Sun, Z, Rokita, S.E. | Deposit date: | 2016-06-29 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Active Site Binding Is Not Sufficient for Reductive Deiodination by Iodotyrosine Deiodinase. Biochemistry, 56, 2017
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5KY0
| mouse POFUT1 in complex with mouse Notch1 EGF12(D464G) and GDP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 1, GLYCEROL, ... | Authors: | Li, Z, Rini, J.M. | Deposit date: | 2016-07-20 | Release date: | 2017-05-17 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Recognition of EGF-like domains by the Notch-modifying O-fucosyltransferase POFUT1. Nat. Chem. Biol., 13, 2017
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5VZ9
| Post-catalytic complex of human Polymerase Mu (G433A) mutant with incoming dTTP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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5VZG
| Pre-catalytic ternary complex of human Polymerase Mu (W434H) mutant with incoming nonhydrolyzable UMPNPP | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, CHLORIDE ION, ... | Authors: | Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C. | Deposit date: | 2017-05-27 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu. Nucleic Acids Res., 45, 2017
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8I99
| N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3 | Descriptor: | N-carbamoyl-D-amino-acid hydrolase | Authors: | Hu, J.M, Ni, Y, Xu, G.C. | Deposit date: | 2023-02-06 | Release date: | 2023-03-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan. J.Agric.Food Chem., 71, 2023
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8I7N
| The Tet-S1 state of G264A mutated Tetrahymena group I intron with 6nt 3'/5'-exon and 2-aminopurine nucleoside | Descriptor: | (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, MAGNESIUM ION, SPERMIDINE, ... | Authors: | Luo, B, Zhang, C, Ling, X, Mukherjee, S, Jia, G, Xie, J, Jia, X, Liu, L, Baulin, E.F, Luo, Y, Jiang, L, Dong, H, Wei, X, Bujnicki, J.M, Su, Z. | Deposit date: | 2023-02-01 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nat Catal, 2023
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5L03
| Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION | Authors: | Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R. | Deposit date: | 2016-07-26 | Release date: | 2017-11-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.469 Å) | Cite: | Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate To Be Published
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