8YP5
 
 | | The structure of MAP2K4 complexed with 5Z7-oxozeaenol | | Descriptor: | (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Dual specificity mitogen-activated protein kinase kinase 4, MAGNESIUM ION | | Authors: | Yumura, S, Kinishita, T. | | Deposit date: | 2024-03-15 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors.
Bioorg.Med.Chem.Lett., 112, 2024
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6UTM
 | | Native E. coli Glyceraldehyde 3-phosphate dehydrogenase | | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ... | | Authors: | Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A. | | Deposit date: | 2019-10-29 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
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5YWG
 | | Crystal structure of Arabidopsis thaliana HPPD complexed with Mesotrione | | Descriptor: | 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Lin, H.Y, Yang, W.C. | | Deposit date: | 2017-11-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
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6D71
 | | Crystal Structure of the Human Miro1 N-terminal GTPase bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 1 | | Authors: | Smith, K.P, Focia, P.J, Rice, S.E, Freymann, D.M. | | Deposit date: | 2018-04-23 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7180779 Å) | | Cite: | Insight into human Miro1/2 domain organization based on the structure of its N-terminal GTPase.
J.Struct.Biol., 212, 2020
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5BPX
 | | Structure of the 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP. | | Descriptor: | 2,4'-dihydroxyacetophenone dioxygenase, ACETATE ION, FE (III) ION, ... | | Authors: | Guo, J, Erskine, P, Wood, S.P, Cooper, J.B. | | Deposit date: | 2015-05-28 | | Release date: | 2015-06-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Extension of resolution and oligomerization-state studies of 2,4'-dihydroxyacetophenone dioxygenase from Alcaligenes sp. 4HAP.
Acta Crystallogr.,Sect.F, 71, 2015
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6G6R
 | | Human Methionine Adenosyltransferase II with SAMe and PPNP | | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2018-04-02 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
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5ZCI
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5ZNY
 | | Structure of mDR3_DD-C363G with MBP tag | | Descriptor: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | | Authors: | Yin, X, Jin, T. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
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4Y3E
 | | Endothiapepsin in complex with fragment 5 | | Descriptor: | 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5ZNZ
 | | Structure of mDR3 DD with MBP tag mutant-I387V | | Descriptor: | Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION | | Authors: | Jin, T, Yin, X. | | Deposit date: | 2018-04-12 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
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6GOA
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6TDB
 | | Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ... | | Authors: | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | | Deposit date: | 2019-11-08 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
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5BYZ
 | | ERK5 in complex with small molecule | | Descriptor: | 4-({5-fluoro-4-[2-methyl-1-(propan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)-N-[2-(piperidin-1-yl)ethyl]benzamide, GLYCEROL, Mitogen-activated protein kinase 7 | | Authors: | Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D. | | Deposit date: | 2015-06-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
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7E6E
 | | Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in D-cycloserine-inhibition | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6A
 | | Crystal structure of cysteine desulfurase SufS C361A from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6C
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Cysteine desulfurase SufS, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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6A6K
 | | Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 | | Descriptor: | 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | Authors: | Yoon, H, Kim, J, Chin, J, Cho, S.J, Song, J. | | Deposit date: | 2018-06-28 | | Release date: | 2019-04-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Estrogen-Related Receptor-gamma Inverse Agonists To Restore the Sodium Iodide Symporter Function in Anaplastic Thyroid Cancer.
J. Med. Chem., 62, 2019
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7E6B
 | | Crystal structure of PMP-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6F
 | | Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in L-cycloserine-inhibition | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Cysteine desulfurase SufS, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2021-02-22 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 289, 2022
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7E6D
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3OMF
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5FUO
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6A83
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1XPR
 | | Structural mechanism of inhibition of the Rho transcription termination factor by the antibiotic 5a-formylbicyclomycin (FB) | | Descriptor: | 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3', 5A-FORMYLBICYCLOMYCIN, MAGNESIUM ION, ... | | Authors: | Skordalakes, E, Brogan, A.P, Park, B.S, Kohn, H, Berger, J.M. | | Deposit date: | 2004-10-09 | | Release date: | 2004-11-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Structure, 13, 2005
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6A9U
 | | Crystal strcture of Icp55 from Saccharomyces cerevisiae bound to apstatin inhibitor | | Descriptor: | Intermediate cleaving peptidase 55, MANGANESE (II) ION, apstatin | | Authors: | Singh, R, Kumar, A, Goyal, V.D, Makde, R.D. | | Deposit date: | 2018-07-16 | | Release date: | 2019-01-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function.
FEBS Lett., 593, 2019
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