6TGF
| Pantoea stewartii WceF is a glycan biofilm modifying enzyme with a bacteriophage tailspike-like parallel beta-helix fold | Descriptor: | 1,2-ETHANEDIOL, Exopolysaccharide biosynthesis protein, TETRAETHYLENE GLYCOL | Authors: | Irmscher, T, Roske, Y, Gayk, I, Heinemann, U, Barbirz, S. | Deposit date: | 2019-11-15 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold. J.Biol.Chem., 296, 2021
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6TI4
| SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/D-Serine/Lys230 gem diamine complex | Descriptor: | (2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | Deposit date: | 2019-11-21 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal Structure of Y55S Serine Hydroxymethyltransferase variant from Streptococcus thermophilus in complex with gem-diamine intermediate of D-serine To Be Published
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6TJC
| Crystal structure of the computationally designed Cake3 protein | Descriptor: | Cake3, GLYCEROL, PHOSPHATE ION | Authors: | Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H. | Deposit date: | 2019-11-26 | Release date: | 2020-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution. Febs J., 288, 2021
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6TGH
| SHMT from Streptococcus thermophilus Tyr55Thr variant in complex with D-Serine both as external aldimine and as non-covalent complex | Descriptor: | D-SERINE, L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene], ... | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | Deposit date: | 2019-11-15 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus To Be Published
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6THB
| Receptor binding domain of the Cedar Virus attachment glycoprotein (G) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Attachment glycoprotein | Authors: | Pryce, R, Rissanen, I, Harlos, K, Bowden, T. | Deposit date: | 2019-11-19 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | A key region of molecular specificity orchestrates unique ephrin-B1 utilization by Cedar virus. Life Sci Alliance, 3, 2020
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4D6H
| Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98) in complex with the type 1 blood group A-tetrasaccharide (E558A X02 mutant) | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE, SULFATE ION, ... | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | Deposit date: | 2014-11-11 | Release date: | 2014-11-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution. J.Am.Chem.Soc., 137, 2015
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6ND7
| The crystal structure of TerB co-crystallized with polyporic acid | Descriptor: | 2~3~,2~6~-dihydroxy[1~1~,2~1~:2~4~,3~1~-terphenyl]-2~2~,2~5~-dione, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-12-13 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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6NE9
| Bacteroides intestinalis acetyl xylan esterase (BACINT_01039) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Koropatkin, N.M, Pereira, G.V, Cann, I. | Deposit date: | 2018-12-17 | Release date: | 2019-12-25 | Last modified: | 2021-01-27 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Degradation of complex arabinoxylans by human colonic Bacteroidetes Nat Commun, 2021
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9BLN
| The structure of human Pdcd4 bound to the 40S-eIF4A-eIF3-eIF1 complex | Descriptor: | 40S ribosomal protein S14, ACETIC ACID, Eukaryotic initiation factor 4A-I, ... | Authors: | Brito Querido, J, Sokabe, M, Diaz-Lopez, I, Gordiyenko, Y, Zuber, P, Yifei, D, Albacete-Albacete, L, Ramakrishnan, V, S Fraser, C. | Deposit date: | 2024-04-30 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Human tumor suppressor protein Pdcd4 binds at the mRNA entry channel in the 40S small ribosomal subunit. Nat Commun, 15, 2024
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3EDU
| Crystal structure of the ankyrin-binding domain of human erythroid spectrin | Descriptor: | Spectrin beta chain, erythrocyte | Authors: | Simonovic, M, Stabach, P, Simonovic, I, Steitz, T.A, Morrow, J.S. | Deposit date: | 2008-09-03 | Release date: | 2009-02-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure of the ankyrin-binding site of {beta}-spectrin reveals how tandem spectrin-repeats generate unique ligand-binding properties Blood, 113, 2009
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3N86
| Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 4 | Descriptor: | (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | Deposit date: | 2010-05-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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7O7I
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7O7J
| Crystal structure of the human HIPK3 kinase domain bound to abemaciclib | Descriptor: | Homeodomain-interacting protein kinase 3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine | Authors: | Kaltheuner, I.H, Anand, K, Geyer, M. | Deposit date: | 2021-04-13 | Release date: | 2021-11-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation. Nat Commun, 12, 2021
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4CMW
| Crystal structure of Rv3378c | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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3NEE
| Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1) | Descriptor: | GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid | Authors: | Trivella, D.B.B, Polikarpov, I. | Deposit date: | 2010-06-08 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition. J.Struct.Biol., 173, 2011
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3MZS
| Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol | Descriptor: | (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ... | Authors: | Stout, C.D, Annalora, A, Mast, N, Pikuleva, I. | Deposit date: | 2010-05-12 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1. J.Biol.Chem., 286, 2011
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5EKH
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7NRY
| Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj | Descriptor: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, CHLORIDE ION, MALONIC ACID, ... | Authors: | Croll, T.I, Read, R.J. | Deposit date: | 2021-03-04 | Release date: | 2022-02-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Adaptive Cartesian and torsional restraints for interactive model rebuilding. Acta Crystallogr D Struct Biol, 77, 2021
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4D7D
| Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-22 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
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4D75
| Cytochrome P450 3A4 bound to an inhibitor | Descriptor: | CYTOCHROME P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate | Authors: | Sevrioukova, I, Poulos, T. | Deposit date: | 2014-11-19 | Release date: | 2015-09-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model. J.Med.Chem., 59, 2016
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4D7L
| Methionine sulfoxide reductase A of Corynebacterium diphtheriae | Descriptor: | CACODYLATE ION, PEPTIDE METHIONINE SULFOXIDE REDUCTASE MSRA, SULFATE ION, ... | Authors: | Van Molle, I, Tossounian, M.A, Pedre, B, Wahni, K, Vertommen, D, Messens, J. | Deposit date: | 2014-11-25 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Corynebacterium Diphtheriae Methionine Sulfoxide Reductase a Exploits a Unique Mycothiol Redox Relay Mechanism. J.Biol.Chem., 290, 2015
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7OIN
| Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift | Descriptor: | LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION | Authors: | Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V. | Deposit date: | 2021-05-12 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift. Int J Mol Sci, 22, 2021
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6D2V
| Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway | Descriptor: | CHLORIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOCYANATE ION, ... | Authors: | Clinger, J.A, Elshahawi, S.I, Zhang, Y, Hall, R.P, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2018-04-14 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Structure and Function of Terfestatin Biosynthesis Enzymes TerB and TerC To Be Published
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7NUV
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4CMX
| Crystal structure of Rv3378c | Descriptor: | 1,2-ETHANEDIOL, BENZENE HEXACARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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