2W66
| BtGH84 in complex with HQ602 | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2008-12-17 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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6TTW
| Crystal structure of the human METTL3-METTL14 complex bound to Compound 4 (ASI_M3M_047) | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-12-30 | Release date: | 2020-03-04 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
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1LE4
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8EZI
| A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with separated sulfite and NPN | Descriptor: | 1,2-ETHANEDIOL, 3-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridin-1-ium, CALCIUM ION, ... | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor. Acs Catalysis, 13, 2023
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2W2K
| Crystal structure of the apo forms of Rhodotorula graminis D- mandelate dehydrogenase at 1.8A. | Descriptor: | D-MANDELATE DEHYDROGENASE | Authors: | Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K. | Deposit date: | 2008-11-02 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase To be Published
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8IH7
| AmnG-AmnH complex | Descriptor: | 4-hydroxy-2-oxovalerate aldolase, Acetaldehyde dehydrogenase, OXALATE ION, ... | Authors: | Su, D, Shi, Q.L. | Deposit date: | 2023-02-22 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | AmnG-AmnH complex To Be Published
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8IL5
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5ES3
| Co-crystal structure of LDH liganded with oxamate | Descriptor: | L-lactate dehydrogenase A chain, OXAMIC ACID | Authors: | Nowicki, M.W, Wear, M.A, McNae, I.W, Blackburn, E.A. | Deposit date: | 2015-11-16 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | A Streamlined, Automated Protocol for the Production of Milligram Quantities of Untagged Recombinant Rat Lactate Dehydrogenase A Using AKTAxpressTM. Plos One, 10, 2015
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6TH0
| Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein | Authors: | Layer, D, Kopp, J, Lapouge, K, Sinning, I. | Deposit date: | 2019-11-18 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response. New Phytol., 228, 2020
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8IGF
| Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution | Descriptor: | (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I. | Deposit date: | 2023-02-20 | Release date: | 2024-02-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II. Int.J.Biol.Macromol., 267, 2024
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6R3P
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2VRO
| Crystal structure of aldehyde dehydrogenase from Burkholderia xenovorans LB400 | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ALDEHYDE DEHYDROGENASE, HEXAETHYLENE GLYCOL, ... | Authors: | Bains, J, Boulanger, M.J. | Deposit date: | 2008-04-09 | Release date: | 2008-04-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of a Novel Aldehyde Dehydrogenase Encoded by the Benzoate Oxidation (Box) Pathway in Burkholderia Xenovorans Lb400 J.Mol.Biol., 379, 2008
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6R4K
| Structure of beta-glucosidase A from Paenibacillus polymyxa complexed with a monovalent inhibitor | Descriptor: | (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol, Beta-glucosidase A | Authors: | Jimenez-Ortega, E, Sanz-Aparicio, J. | Deposit date: | 2019-03-22 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis of the inhibition of GH1 beta-glucosidases by multivalent pyrrolidine iminosugars. Bioorg.Chem., 89, 2019
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8EQH
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2VQF
| Modified uridines with C5-methylene substituents at the first position of the tRNA anticodon stabilize U-G wobble pairing during decoding | Descriptor: | 16S RRNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ... | Authors: | Kurata, S, Weixlbaumer, A, Ohtsuki, T, Shimazaki, T, Wada, T, Kirino, Y, Takai, K, Watanabe, K, Ramakrishnan, V, Suzuki, T. | Deposit date: | 2008-03-14 | Release date: | 2008-04-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Modified Uridines with C5-Methylene Substituents at the First Position of the tRNA Anticodon Stabilize U.G Wobble Pairing During Decoding. J.Biol.Chem., 283, 2008
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7MWB
| ERAP1 binds peptide C-terminus of a SPF sequence (FKARKF) | Descriptor: | Endoplasmic reticulum aminopeptidase 1,SPF Sequence | Authors: | Guo, H.C, Sui, L. | Deposit date: | 2021-05-16 | Release date: | 2021-07-28 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | ERAP1 binds peptide C-termini of different sequences and/or lengths by a common recognition mechanism. Immunobiology, 226, 2021
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5EK2
| Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with NLG919 analogue | Descriptor: | 1-cyclohexyl-2-[(5~{S})-6-fluoranyl-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanone, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Peng, Y.H, Wu, J.S, Wu, S.Y. | Deposit date: | 2015-11-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Important Hydrogen Bond Networks in Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitor Design Revealed by Crystal Structures of Imidazoleisoindole Derivatives with IDO1 J.Med.Chem., 59, 2016
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8EZH
| A tethered niacin-derived pincer complex with a nickel-carbon bond in lactate racemase R98A/R100A variant modeled with sulfite-NPN adduct | Descriptor: | (4S)-5-methanethioyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-4-sulfo-1,4-dihydropyridine-3-carbothioic S-acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Gatreddi, S, Hausinger, R.P, Hu, J. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Irreversible inactivation of lactate racemase by sodium borohydride reveals reactivity of the nickel-pincer nucleotide cofactor. Acs Catalysis, 13, 2023
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7MWC
| ERAP1 binds peptide C-terminus of a LPF sequence (AAAAFKARKF) | Descriptor: | Endoplasmic reticulum aminopeptidase 1,LPF sequence | Authors: | Guo, H.C, Sui, L. | Deposit date: | 2021-05-16 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | ERAP1 binds peptide C-termini of different sequences and/or lengths by a common recognition mechanism. Immunobiology, 226, 2021
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6HDG
| D170N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with beta-G1P in a closed conformer to 1.2 A. | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, ... | Authors: | Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P. | Deposit date: | 2018-08-17 | Release date: | 2020-08-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase. To Be Published
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2WAB
| Structure of an active site mutant of a family two carbohydrate esterase from Clostridium thermocellum in complex with celluohexase | Descriptor: | ENDOGLUCANASE E, GLYCEROL, IODIDE ION, ... | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2009-02-04 | Release date: | 2009-03-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions. Plos Biol., 7, 2009
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6HDK
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6R6V
| Structure of recombinant human butyrylcholinesterase in complex with a fluorescent coumarin-based probe | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | Authors: | Brazzolotto, X, Nachon, F, Knez, D, Gobec, S. | Deposit date: | 2019-03-28 | Release date: | 2020-01-15 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes. J Enzyme Inhib Med Chem, 35, 2020
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2WCG
| X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
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1L4D
| CRYSTAL STRUCTURE OF MICROPLASMINOGEN-STREPTOKINASE ALPHA DOMAIN COMPLEX | Descriptor: | PLASMINOGEN, STREPTOKINASE, SULFATE ION | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | Deposit date: | 2002-03-04 | Release date: | 2002-12-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation PROTEIN ENG., 15, 2002
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