6JUJ
 
 | | Crystal structure of Formate dehydrogenase mutant V198I/C256I/P260S/E261P/S381N/S383F from Pseudomonas sp. 101in complex with non-natural cofactor Nicotinamide Cytosine Dinucleotide | | Descriptor: | Formate dehydrogenase, GLYCEROL, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Feng, Y, Guo, X, Xue, S, Zhao, Z. | | Deposit date: | 2019-04-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | Structure-Guided Design of Formate Dehydrogenase for Regeneration of a Non-Natural Redox Cofactor.
Chemistry, 26, 2020
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2OBF
 | | Structure of K57A hPNMT with inhibitor 3-Hydroxymethyl-7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy (SAH) | | Descriptor: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Drinkwater, N, Martin, J.L. | | Deposit date: | 2006-12-19 | | Release date: | 2007-10-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
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6V6W
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7KNN
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5U8F
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-14 | | Release date: | 2017-03-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.343 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5ONE
 | | Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2) | | Descriptor: | 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide, Aurora kinase A | | Authors: | Chaikuad, A, Ferguson, F.M, Gray, N.S, Knapp, S. | | Deposit date: | 2017-08-03 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of a highly selective inhibitor of the Aurora kinases.
Bioorg. Med. Chem. Lett., 27, 2017
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2WCM
 | | Structure of BMori GOBP2 (General Odorant Binding Protein 2) with (10E)-hexadecen-12-yn-1-ol | | Descriptor: | (10E)-hexadec-10-en-12-yn-1-ol, GENERAL ODORANT-BINDING PROTEIN 1, MAGNESIUM ION | | Authors: | Robertson, G, Zhou, J.-J, He, X, Pickett, J.A, Field, L.M, Keep, N.H. | | Deposit date: | 2009-03-12 | | Release date: | 2009-08-11 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterisation of Bombyx Mori Odorant-Binding Proteins Reveals that a General Odorant-Binding Protein Discriminates between Sex Pheromone Components.
J.Mol.Biol., 389, 2009
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4PO9
 | | Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-BR | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Protein RecA, ... | | Authors: | Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M. | | Deposit date: | 2014-02-25 | | Release date: | 2015-03-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
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5OW2
 | | Japanese encephalitis virus capsid protein | | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, capsid protein | | Authors: | Poonsiri, T, Wright, G.S.A, Antonyuk, S.V. | | Deposit date: | 2017-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of the Japanese Encephalitis Virus Capsid Protein.
Viruses, 11, 2019
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6MYR
 | | Avian mitochondrial complex II with thiapronil bound | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Huang, L.-S, Luemmen, P, Berry, E.A. | | Deposit date: | 2018-11-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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3OCI
 | | Crystal structure of TBP (TATA box binding protein) | | Descriptor: | 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1) | | Authors: | Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P. | | Deposit date: | 2010-08-10 | | Release date: | 2011-07-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.899 Å) | | Cite: | Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011
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2OKB
 | | High Resolution Crystal Structures of Vaccinia Virus dUTPase | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Schormann, N, Chattopadhyay, D. | | Deposit date: | 2007-01-16 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structures of vaccinia virus dUTPase and its nucleotide complexes.
Acta Crystallogr.,Sect.D, 63, 2007
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4Z3W
 | | Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA | | Descriptor: | 1,5 Dienoyl-CoA, Benzoyl-CoA reductase, putative, ... | | Authors: | Weinert, T, Kung, J, Weidenweber, S, Huwiler, S, Boll, M, Ermler, U. | | Deposit date: | 2015-04-01 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.208 Å) | | Cite: | Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
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1JRI
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7KLK
 | | Human Arginase1 Complexed with Inhibitor Compound 3a | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-carboxypiperidin-3-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-30 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology.
Acs Med.Chem.Lett., 12, 2021
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1UY9
 | | Human Hsp90-alpha with 8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-9H-purin-6-ylamine | | Descriptor: | 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | | Deposit date: | 2004-03-02 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
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7FET
 | | SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | | Deposit date: | 2021-07-21 | | Release date: | 2021-12-15 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
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3OFI
 | | Crystal structure of human insulin-degrading enzyme in complex with ubiquitin | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Insulin-degrading enzyme, Ubiquitin, ... | | Authors: | Kalas, V, Ralat, L.A, Tang, W.-J. | | Deposit date: | 2010-08-15 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Ubiquitin is a novel substrate for human insulin-degrading enzyme.
J.Mol.Biol., 406, 2011
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5CGG
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3OHE
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6RV7
 | | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid UXXR | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | | Deposit date: | 2019-05-31 | | Release date: | 2020-03-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
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5P21
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6HVR
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with 16 | | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2018-10-11 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits.
J.Med.Chem., 62, 2019
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1G0Z
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2ALP
 | | REFINED STRUCTURE OF ALPHA-LYTIC PROTEASE AT 1.7 ANGSTROMS RESOLUTION. ANALYSIS OF HYDROGEN BONDING AND SOLVENT STRUCTURE | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | | Authors: | Fujinaga, M, Delbaere, L.T.J, Brayer, G.D, James, M.N.G. | | Deposit date: | 1985-03-07 | | Release date: | 1985-07-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Refined structure of alpha-lytic protease at 1.7 A resolution. Analysis of hydrogen bonding and solvent structure.
J.Mol.Biol., 184, 1985
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