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3L1S
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3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3
Descriptor: (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Haar, T.E.
Deposit date:2009-12-14
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.
Bioorg.Med.Chem.Lett., 20, 2010
1T6K
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Crystal structure of phzF from Pseudomonas fluorescens 2-79
Descriptor: Phenazine biosynthesis protein phzF, SULFATE ION
Authors:Parsons, J.F, Song, F, Parsons, L, Calabrese, K, Eisenstein, E, Ladner, J.E.
Deposit date:2004-05-06
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the phenazine biosynthesis protein PhzF from Pseudomonas fluorescens 2-79
Biochemistry, 43, 2004
7AN1
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A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
Descriptor: Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
Deposit date:2020-10-10
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
1R8Y
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BU of 1r8y by Molmil
Crystal Structure of Mouse Glycine N-Methyltransferase (Monoclinic Form)
Descriptor: BETA-MERCAPTOETHANOL, glycine N-methyltransferase
Authors:Pakhomova, S, Luka, Z, Wagner, C, Newcomer, M.E.
Deposit date:2003-10-28
Release date:2004-09-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Glycine N-methyltransferases: a comparison of the crystal structures and kinetic properties of recombinant human, mouse and rat enzymes.
Proteins, 57, 2004
6F2E
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BU of 6f2e by Molmil
Crystal structure of the APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1
Descriptor: ACETIC ACID, L-lysine 3-hydroxylase
Authors:Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K.
Deposit date:2017-11-24
Release date:2018-11-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018
5EIZ
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BU of 5eiz by Molmil
Crystal structure of Y99A mutant of human macrophage migration inhibitory factor
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Pantouris, G, Lolis, E.
Deposit date:2015-10-30
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74.
Angew. Chem. Int. Ed. Engl., 2018
4RW8
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BU of 4rw8 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor'
Descriptor: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
1MA7
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BU of 1ma7 by Molmil
Crystal structure of Cre site-specific recombinase complexed with a mutant DNA substrate, LoxP-A8/T27
Descriptor: CRE RECOMBINASE, LOXP
Authors:Martin, S.S, Chu, V.C, Baldwin, E.P.
Deposit date:2002-08-01
Release date:2003-07-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Modulation of the active complex assembly and turnover rate by protein-DNA interactions in Cre-LoxP recombination
Biochemistry, 42, 2003
1RAF
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BU of 1raf by Molmil
CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Kosman, R.P, Gouaux, J.E, Lipscomb, W.N.
Deposit date:1992-08-14
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
1CXP
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BU of 1cxp by Molmil
CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Fiedler, T.J, Fenna, R.E.
Deposit date:1999-08-30
Release date:2000-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
2P7Q
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BU of 2p7q by Molmil
Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid
Descriptor: Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID
Authors:Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N.
Deposit date:2007-03-20
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
4RXI
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BU of 4rxi by Molmil
Structure of C-terminal domain of uncharacterized protein from Legionella pneumophila
Descriptor: hypothetical protein lpg0944
Authors:Cuff, M, Nocek, B, Evdokimova, E, Egorova, O, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-12-11
Release date:2015-05-06
Last modified:2017-01-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
5ELC
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BU of 5elc by Molmil
Cholera toxin El Tor B-pentamer in complex with Lewis-y
Descriptor: BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ...
Authors:Heggelund, J.E, Burschowsky, D, Krengel, U.
Deposit date:2015-11-04
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
1ODM
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BU of 1odm by Molmil
ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ANAEROBIC AC-VINYLGLYCINE FE COMPLEX)
Descriptor: DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ISOPENICILLIN N SYNTHASE, ...
Authors:Elkins, J.M, Rutledge, P.J, Burzlaff, N.I, Clifton, I.J, Adlington, R.M, Roach, P.L, Baldwin, J.E.
Deposit date:2003-02-19
Release date:2003-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystallographic Studies on the Reaction of Isopenicillin N Synthase with an Unsaturated Substrate Analogue
Org.Biomol.Chem., 1, 2003
6FFX
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BU of 6ffx by Molmil
Crystal structure of R. ruber ADH-A, mutant F43H
Descriptor: Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
Deposit date:2018-01-09
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Directed Evolution of Alcohol Dehydrogenase for Improved Stereoselective Redox Transformations of 1-Phenylethane-1,2-diol and Its Corresponding Acyloin.
Biochemistry, 57, 2018
5DAT
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BU of 5dat by Molmil
Complex of yeast 80S ribosome with hypusine-containing eIF5A
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M.
Deposit date:2015-08-20
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome
To Be Published
3TL4
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BU of 3tl4 by Molmil
Crystal Structure of the tRNA Binding Domain of Glutaminyl-tRNA Synthetase from Saccharomyces cerevisiae
Descriptor: Glutaminyl-tRNA synthetase
Authors:Grant, T.D, Snell, E.H.
Deposit date:2011-08-29
Release date:2011-11-30
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural conservation of an ancient tRNA sensor in eukaryotic glutaminyl-tRNA synthetase.
Nucleic Acids Res., 40, 2012
6FHG
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BU of 6fhg by Molmil
Crystal structure of the Ts2631 endolysin from Thermus scotoductus phage with the unique N-terminal moiety responsible for peptidoglycan anchoring
Descriptor: LysT endolysin, ZINC ION
Authors:Zeth, K, Sancho-Vaello, E, Plotka, M.
Deposit date:2018-01-14
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and function of the Ts2631 endolysin of Thermus scotoductus phage vB_Tsc2631 with unique N-terminal extension used for peptidoglycan binding.
Sci Rep, 9, 2019
6FDQ
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BU of 6fdq by Molmil
Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 5
Descriptor: Deubiquitinase and deneddylase Dub1, N-benzyl-2-[(Z)-iminomethyl]pyrimidine-5-carboxamide
Authors:Ramirez, Y, Kisker, C, Altmann, E.
Deposit date:2017-12-26
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Substrate Recognition and Covalent Inhibition of Cdu1 from Chlamydia trachomatis.
ChemMedChem, 13, 2018
4N0C
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BU of 4n0c by Molmil
42F3 TCR pCPE3/H-2Ld complex
Descriptor: 42F3 VmCh alpha, 42F3 VmCh beta, H-2 class I histocompatibility antigen, ...
Authors:Birnbaum, M.E, Adams, J.J, Garcia, K.C.
Deposit date:2013-10-01
Release date:2015-08-19
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural interplay between germline interactions and adaptive recognition determines the bandwidth of TCR-peptide-MHC cross-reactivity.
Nat. Immunol., 17, 2016
1FSG
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BU of 1fsg by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE COMPLEXED WITH 9-DEAZAGUANINE, ALPHA-D-5-PHOSPHORIBOSYL-1-PYROPHOSPHATE (PRPP) AND TWO MG2+ IONS
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAGUANINE, HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, ...
Authors:Heroux, A, White, E.L, Ross, L.J, Kuzin, A.P, Borhani, D.W.
Deposit date:2000-09-08
Release date:2000-12-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Substrate deformation in a hypoxanthine-guanine phosphoribosyltransferase ternary complex: the structural basis for catalysis.
Structure Fold.Des., 8, 2000
4N5B
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BU of 4n5b by Molmil
Crystal structure of the Nipah virus phosphoprotein tetramerization domain
Descriptor: IMIDAZOLE, Phosphoprotein
Authors:Bruhn, J.F, Barnett, K, Bibby, J, Thomas, J, Keegan, R, Rigden, D, Bornholdt, Z.A, Saphire, E.O.
Deposit date:2013-10-09
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the nipah virus phosphoprotein tetramerization domain.
J.Virol., 88, 2014
6F6D
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BU of 6f6d by Molmil
The catalytic domain of KDM6B in complex with H3(17-33)K18IA21M peptide
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Histone 3 peptide H3(17-33)K18IA21M, ...
Authors:Jones, S.E, Olsen, L, Gajhede, M.
Deposit date:2017-12-05
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81810677 Å)
Cite:Structural Basis of Histone Demethylase KDM6B Histone 3 Lysine 27 Specificity.
Biochemistry, 57, 2018
5DI7
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Crystal Structure of the ER-alpha Ligand-binding Domain in complex with an methyl-substituted A-CD ring estrogen derivative (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol
Descriptor: (1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-08-31
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6F6J
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BU of 6f6j by Molmil
Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/succinate/(3S)-3-hydroxy-L-lysine
Descriptor: (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid, ACETATE ION, FE (III) ION, ...
Authors:Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K.
Deposit date:2017-12-05
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family.
Sci Rep, 8, 2018

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