8UGQ
 
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6GNG
 | | Granule Bound Starch Synthase I from Cyanophora paradoxa bound to acarbose and ADP | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Granule-bound starch synthase | | Authors: | Cuesta-Seijo, J.A, Nielsen, M.M, Palcic, M.M. | | Deposit date: | 2018-05-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases.
Front Plant Sci, 9, 2018
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6GNU
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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6GU7
 | | CDK1/Cks2 in complex with AZD5438 | | Descriptor: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | Deposit date: | 2018-06-19 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
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6GNF
 | | Granule Bound Starch Synthase from Cyanobacterium sp. CLg1 bound to acarbose and ADP | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase, ... | | Authors: | Cuesta-Seijo, J.A, Nielsen, M.M, Palcic, M.M. | | Deposit date: | 2018-05-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases.
Front Plant Sci, 9, 2018
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8QQ1
 | | SpNOX dehydrogenase domain, mutant F397W in complex with Flavin adenine dinucleotide (FAD) | | Descriptor: | BROMIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | | Authors: | Humm, A.S, Dupeux, F, Vermot, A, Petit-Harleim, I, Fieschi, F, Marquez, J.A. | | Deposit date: | 2023-10-03 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.941 Å) | | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
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8QQ5
 | | Structure of WT SpNox DH domain: a bacterial NADPH oxidase. | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Oxidoreductase | | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | | Deposit date: | 2023-10-03 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
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8QQ7
 | | Structure of SpNOX: a Bacterial NADPH oxidase | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-binding FR-type domain-containing protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Thepaut, M, Petit-Hartlein, I, Vermot, A, Chaptal, V, Humm, A.S, Dupeux, F, Marquez, J.A, Smith, S, Fieschi, F. | | Deposit date: | 2023-10-04 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.62 Å) | | Cite: | X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX.
Elife, 13, 2024
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6P58
 | | Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ... | | Authors: | Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N. | | Deposit date: | 2019-05-29 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6FZR
 | | Crystal structure of scFv-SM3 in complex with compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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6NNI
 | | Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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6FTD
 | | Deinococcus radiodurans BphP PAS-GAF H290T mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Edlund, P, Takala, H, Westenhoff, S, Ihalainen, J.A. | | Deposit date: | 2018-02-21 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Coordination of the biliverdin D-ring in bacteriophytochromes.
Phys Chem Chem Phys, 20, 2018
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6NND
 | | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate | | Descriptor: | COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | Deposit date: | 2019-01-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
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8RHI
 | | Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ... | | Authors: | Miguel-Ruano, V, Hermoso, J.A. | | Deposit date: | 2023-12-15 | | Release date: | 2024-04-17 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
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6FZQ
 | | Crystal structure of scFv-SM3 in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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7BHP
 | | Cryo-EM structure of the human Ebp1 - 80S ribosome | | Descriptor: | 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | | Authors: | Desogus, J, Bhaskar, V, Chao, J.A. | | Deposit date: | 2021-01-11 | | Release date: | 2021-02-03 | | Last modified: | 2021-03-31 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Dynamic association of human Ebp1 with the ribosome.
Rna, 27, 2021
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6HWL
 | | Glucosamine kinase in complex with glucosamine, ADP and inorganic phosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Manso, J.A, Pereira, P.J.B. | | Deposit date: | 2018-10-12 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.148 Å) | | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
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6OZW
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6I05
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6OZX
 | | Wild type GapR crystal structure 1 from C. crescentus | | Descriptor: | UPF0335 protein CC_3319 | | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | Deposit date: | 2019-05-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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6P9V
 | | Crystal Structure of hMAT Mutant K289L | | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2019-06-10 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
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7BAY
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6HJL
 | | Affimer:BclxL | | Descriptor: | Affimer ADB13, Bcl-2-like protein 1 | | Authors: | Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A. | | Deposit date: | 2018-09-04 | | Release date: | 2020-03-18 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
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6I0A
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6HML
 | | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | | Descriptor: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Tucker, J.A, Barkauskaite, E. | | Deposit date: | 2018-09-12 | | Release date: | 2018-11-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
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