4IAD
 
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6T1P
 | | ASR Alternansucrase in complex with isomaltononaose | | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | | Deposit date: | 2019-10-04 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
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6T95
 | | Trypanothione Reductase from Leismania infantum in complex with 4a | | Descriptor: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Carriles, A.A, Hermoso, J.A. | | Deposit date: | 2019-10-25 | | Release date: | 2020-11-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity.
Eur.J.Med.Chem., 244, 2022
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6VWH
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6T9B
 | | Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside | | Descriptor: | Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside | | Authors: | Houser, J, Komarek, J, Kozmon, S, Wimmerova, M. | | Deposit date: | 2019-10-26 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
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6T6A
 | | Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | | Descriptor: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | [ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Molecules, 24, 2019
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3JZS
 | | Human MDM2 liganded with a 12mer peptide inhibitor (pDIQ) | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase Mdm2, pDIQ peptide (12mer) | | Authors: | Schonbrunn, E, Phan, J. | | Deposit date: | 2009-09-24 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-based design of high affinity peptides inhibiting the interaction of p53 with MDM2 and MDMX.
J.Biol.Chem., 285, 2010
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6PYZ
 | | Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site | | Descriptor: | (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase, ... | | Authors: | Pham, K.N, Lewis-Ballester, A, Yeh, S.R. | | Deposit date: | 2019-07-31 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
J.Am.Chem.Soc., 141, 2019
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2W4D
 | | Acylphosphatase variant G91A from Pyrococcus horikoshii | | Descriptor: | ACYLPHOSPHATASE, PHOSPHATE ION, POTASSIUM ION | | Authors: | Lam, S.Y, Wong, K.B. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity.
Plos Biol., 9, 2011
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3CL2
 | | N1 Neuraminidase N294S + Oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J. | | Deposit date: | 2008-03-18 | | Release date: | 2008-05-20 | | Last modified: | 2018-08-22 | | Method: | X-RAY DIFFRACTION (2.538 Å) | | Cite: | Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
Nature, 453, 2008
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6TDF
 | | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | | Deposit date: | 2019-11-08 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
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4IB0
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6PY3
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6THQ
 | | Crystal structure of branched-chain aminotransferase from thermophilic archaea Thermoproteus uzoniensis with norvaline | | Descriptor: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO-PENTANOIC ACID, Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Bezsudnova, E.Y, Popov, V.O. | | Deposit date: | 2019-11-21 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Three-Dimensional Structure of Branched-Chain Amino Acid Transaminase from Thermoproteus uzoniensis in Complex with L-Norvaline
Crystallography Reports, 2020
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4IAZ
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6T3V
 | | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - malic acid | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Rutkiewicz, M, Bujacz, A, Rum, J, Bujacz, G. | | Deposit date: | 2019-10-11 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6.
Materials, 14, 2021
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3K7H
 | | Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain | | Descriptor: | Indian hedgehog protein, SULFATE ION, ZINC ION | | Authors: | He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z. | | Deposit date: | 2009-10-13 | | Release date: | 2011-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the E95K mutant of the Indian Hedgehog N-terminal signalling domain
To be Published
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6W6Z
 | | BlsA ground state | | Descriptor: | BLUF domain-containing protein, FLAVIN MONONUCLEOTIDE | | Authors: | Chitrakar, I, French, J.B. | | Deposit date: | 2020-03-18 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural Basis for the Regulation of Biofilm Formation and Iron Uptake in A. baumannii by the Blue-Light-Using Photoreceptor, BlsA.
Acs Infect Dis., 6, 2020
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6T5E
 | | Hydroxylamine Oxidoreductase from Brocadia fulgida | | Descriptor: | HEME C, Hydroxylamine oxidoreductase-like protein, SULFATE ION | | Authors: | Akram, M, Dietl, A, Mueller, M, Barends, T. | | Deposit date: | 2019-10-16 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Purification of the key enzyme complexes of the anammox pathway from DEMON sludge.
Biopolymers, 112, 2021
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6Q8E
 | | Crystal structure of branched-chain amino acid aminotransferase from Thermobaculum terrenum in PMP-form | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Branched-chain-amino-acid aminotransferase, CHLORIDE ION | | Authors: | Boyko, K.M, Bezsudnova, E.Y, Nikolaeva, A.Y, Zeifman, Y.S, Rakitina, T.V, Popov, V.O. | | Deposit date: | 2018-12-14 | | Release date: | 2019-01-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Biochemical and structural insights into PLP fold type IV transaminase from Thermobaculum terrenum.
Biochimie, 158, 2018
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6TGP
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4IC2
 | | Crystal structure of the XIAP RING domain | | Descriptor: | E3 ubiquitin-protein ligase XIAP, NICKEL (II) ION, ZINC ION | | Authors: | Linke, K, Nakatani, Y, Day, C.L. | | Deposit date: | 2012-12-09 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Regulation of ubiquitin transfer by XIAP, a dimeric RING E3 ligase
Biochem.J., 450, 2013
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4ICC
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0064 | | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2012-12-10 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
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6TJY
 | | Crystal structure of haemagglutinin from (A/seal/Germany/1/2014) seal H10N7 influenza virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2019-11-27 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6QCX
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