7M66
 
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6NUF
 | | Structure of Calcineurin in complex with NHE1 peptide | | Descriptor: | CALCIUM ION, Calcineurin subunit B type 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, X, Page, R, Peti, W. | | Deposit date: | 2019-01-31 | | Release date: | 2019-07-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the binding and selective dephosphorylation of Na+/H+exchanger 1 by calcineurin.
Nat Commun, 10, 2019
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6Q8N
 | | GH10 endo-xylanase in complex with xylobiose epoxide inhibitor | | Descriptor: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | | Deposit date: | 2018-12-15 | | Release date: | 2019-06-05 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
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8ZJ7
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate and NAD. | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, CHLORIDE ION, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate and NAD.
To Be Published
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8ZJ0
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate. | | Descriptor: | 3-HYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, CHLORIDE ION, ... | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3-Hydroxybenzoate.
To Be Published
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8ZJ5
 | | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate. | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION | | Authors: | Kumar, K.A, Pahwa, D, Kumar, P. | | Deposit date: | 2024-05-14 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 3,4-Dihydroxybenzoate.
To Be Published
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8RNN
 | | Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with prednisone | | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fernandez-Garcia, A, Sanz-Aparicio, J. | | Deposit date: | 2024-01-10 | | Release date: | 2024-10-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Insights and Reaction Profile of a New Unspecific Peroxygenase from Marasmius wettsteinii Produced in a Tandem-Yeast Expression System.
Acs Chem.Biol., 19, 2024
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8ERP
 | | Structure of Xenopus cholinephosphotransferase1 in complex with CDP-choline | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Cholinephosphotransferase 1, MAGNESIUM ION, ... | | Authors: | Wang, L, Zhou, M. | | Deposit date: | 2022-10-12 | | Release date: | 2023-04-26 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
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8ERO
 | | Structure of Xenopus cholinephosphotransferase1 in complex with CDP | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CYTIDINE-5'-DIPHOSPHATE, Cholinephosphotransferase 1, ... | | Authors: | Wang, L, Zhou, M. | | Deposit date: | 2022-10-12 | | Release date: | 2023-04-26 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis.
Nat Commun, 14, 2023
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8HRR
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6QRT
 | | X-ray radiation dose series on xylose isomerase - 1.38 MGy | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | | Deposit date: | 2019-02-19 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both.
J.Synchrotron Radiat., 26, 2019
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8G41
 | | Horse liver alcohol dehydrogense His-51-Gln form complexed with NADH | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Plapp, B.V. | | Deposit date: | 2023-02-08 | | Release date: | 2023-02-15 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Histidine-51 facilitates deprotonatation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
To Be Published
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1LVJ
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6R7D
 | | Crystal structure of LTC4S in complex with AZ13690257 | | Descriptor: | (1~{S},2~{S})-2-[5-[cyclopropylmethyl(naphthalen-1-yl)amino]-4-methoxy-pyrimidin-2-yl]carbonylcyclopropane-1-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, Leukotriene C4 synthase, ... | | Authors: | Kack, H, Ek, M. | | Deposit date: | 2019-03-28 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma.
J.Med.Chem., 62, 2019
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6OJM
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6OB7
 | | Human equilibrative nucleoside transporter-1, dilazep bound | | Descriptor: | (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate), (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Equilibrative nucleoside transporter 1 | | Authors: | Wright, N.J, Lee, S.-Y. | | Deposit date: | 2019-03-19 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of human ENT1 in complex with adenosine reuptake inhibitors.
Nat.Struct.Mol.Biol., 26, 2019
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5Y52
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4XP7
 | | Crystal structure of Human tRNA dihydrouridine synthase 2 | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like | | Authors: | Whelan, F, Jenkins, H.T, Griffiths, S, Byrne, R.T, Dodson, E.J, Antson, A.A. | | Deposit date: | 2015-01-16 | | Release date: | 2015-01-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | From bacterial to human dihydrouridine synthase: automated structure determination.
Acta Crystallogr.,Sect.D, 71, 2015
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6YND
 | | GAPDH purified from the supernatant of HEK293F cells: crystal form 1 of 4. | | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Roversi, P, Lia, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.525 Å) | | Cite: | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
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8G39
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7NA0
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8G9D
 | | Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7 | | Descriptor: | (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1 | | Authors: | Zong, G, Wang, H, Shears, S. | | Deposit date: | 2023-02-21 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
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6RP1
 | | 1.49 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 6.5 | | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | | Deposit date: | 2019-05-13 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
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6RKG
 | | 1.32 A RESOLUTION OF SPOROSARCINA PASTEURII UREASE INHIBITED IN THE PRESENCE OF NBPTO AT pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, DIAMIDOPHOSPHATE, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | | Deposit date: | 2019-04-30 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Impact of pH on Catalytically Critical Protein Conformational Changes: The Case of the Urease, a Nickel Enzyme.
Chemistry, 25, 2019
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6RTM
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking | | Descriptor: | 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ... | | Authors: | Angelucci, F, Silvestri, I, Fata, F, Williams, D.L. | | Deposit date: | 2019-05-24 | | Release date: | 2020-01-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
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