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7CA1
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BU of 7ca1 by Molmil
Crystal structure of dihydroorotase in complex with plumbagin from Saccharomyces cerevisiae
Descriptor: (2S)-2-hydroxybutanedioic acid, 5-hydroxy-2-methylnaphthalene-1,4-dione, Dihydroorotase, ...
Authors:Guan, H.H, Huang, Y.H, Huang, C.Y, Chen, C.J.
Deposit date:2020-06-08
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Plumbagin, a Natural Product with Potent Anticancer Activities, Binds to and Inhibits Dihydroorotase, a Key Enzyme in Pyrimidine Biosynthesis.
Int J Mol Sci, 22, 2021
7CET
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BU of 7cet by Molmil
Crystal structure of D-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori
Descriptor: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, CHLORIDE ION, Cysteine desulfurase IscS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2020-06-24
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
7CEU
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BU of 7ceu by Molmil
Crystal structure of L-cycloserine-bound form of cysteine desulfurase NifS from Helicobacter pylori
Descriptor: (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2020-06-24
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
5AN1
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BU of 5an1 by Molmil
Crystallographic structure of the Glutathione S-Transferase from Litopenaeus vannamei complexed with Glutathione
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Juarez-Martinez, A.B, Sotelo-Mundo, R, Rudino-Pinera, E.
Deposit date:2015-09-02
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a class-mu glutathione S-transferase from whiteleg shrimp Litopenaeus vannamei: structural changes in the xenobiotic binding H-site may alter the spectra of molecules bound.
J. Biochem. Mol. Toxicol., 31, 2017
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7E3U
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BU of 7e3u by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU
Descriptor: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S.
Deposit date:2021-02-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
7E50
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BU of 7e50 by Molmil
Crystal structure of human microplasmin in complex with kazal-type inhibitor AaTI
Descriptor: AAEL006007-PA, GLYCEROL, Plasminogen, ...
Authors:Varsha, A.W, Jobichen, C, Mok, Y.K.
Deposit date:2021-02-16
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Aedes aegypti trypsin inhibitor in complex with mu-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor.
Protein Sci., 31, 2022
5T0N
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BU of 5t0n by Molmil
Pseudo-apo structure of Sestrin2 at 3.0 angstrom resolution
Descriptor: LEUCINE, Sestrin-2
Authors:Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:The apo-structure of the leucine sensor Sestrin2 is still elusive.
Sci.Signal., 9, 2016
5TMF
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BU of 5tmf by Molmil
Re-refinement of thermus thermophilus RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Wang, J.
Deposit date:2016-10-12
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:On the validation of crystallographic symmetry and the quality of structures.
Protein Sci., 24, 2015
4FLM
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BU of 4flm by Molmil
S-formylglutathione Hydrolase W197I Variant containing Copper
Descriptor: COPPER (II) ION, S-formylglutathione hydrolase
Authors:Legler, P.M, Millard, C.B.
Deposit date:2012-06-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A role for His-160 in peroxide inhibition of S. cerevisiae S-formylglutathione hydrolase: Evidence for an oxidation sensitive motif.
Arch.Biochem.Biophys., 528, 2012
7D1B
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BU of 7d1b by Molmil
Crystal structure of Fimbriiglobus ruber glutaminyl cyclase
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, GLYCEROL, ...
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
1YT5
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BU of 1yt5 by Molmil
Crystal structure of NAD kinase from Thermotoga maritima
Descriptor: SULFATE ION, inorganic polyphosphate/ATP-NAD kinase
Authors:Berkeley Structural Genomics Center (BSGC)
Deposit date:2005-02-09
Release date:2005-04-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a NAD kinase from Thermotoga maritima at 2.3 A resolution.
Acta Crystallogr.,Sect.F, 61, 2005
7D18
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BU of 7d18 by Molmil
Crystal structure of Acidobacteriales bacterium glutaminyl cyclase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Peptidase M28, ...
Authors:Huang, K.-F, Huang, J.-S, Wu, M.-L, Hsieh, W.-L, Wang, A.H.-J.
Deposit date:2020-09-14
Release date:2021-04-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:A Unique Carboxylic-Acid Hydrogen-Bond Network (CAHBN) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes.
J.Mol.Biol., 433, 2021
4PR6
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BU of 4pr6 by Molmil
A Second Look at the HDV Ribozyme Structure and Dynamics.
Descriptor: HDV RIBOZYME SELF-CLEAVED, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A
Authors:Kapral, G.J, Jain, S, Noeske, J, Doudna, J.A, Richardson, D.C, Richardson, J.S.
Deposit date:2014-03-05
Release date:2014-10-29
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:New tools provide a second look at HDV ribozyme structure, dynamics and cleavage.
Nucleic Acids Res., 42, 2014
5A7B
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BU of 5a7b by Molmil
Structure of the p53 cancer Y220C bound to the stabilizing small molecule PhiKan5211
Descriptor: 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol, CELLULAR TUMOR ANTIGEN P53, ZINC ION
Authors:Joerger, A.C.
Deposit date:2015-07-03
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen Bioisostere.
Acs Chem.Biol., 10, 2015
7F2N
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BU of 7f2n by Molmil
Crystal structure of SSB from Klebsiella pneumonia.
Descriptor: Single-stranded DNA-binding protein
Authors:Lin, E.S, Huang, Y.H, Huang, C.Y.
Deposit date:2021-06-11
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of the Chimeric PriB-SSBc Protein.
Int J Mol Sci, 22, 2021
5BKN
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BU of 5bkn by Molmil
Crystallographic structure of a cubic crystal form of STMV (84.5 degree rotation) grown from chloride
Descriptor: CHLORIDE ION, Coat protein, MAGNESIUM ION, ...
Authors:McPherson, A.
Deposit date:2021-03-20
Release date:2021-12-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of additional crystal forms of Satellite tobacco mosaic virus grown from a variety of salts.
Acta Crystallogr.,Sect.F, 77, 2021
7F25
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BU of 7f25 by Molmil
Crystal structure of SSB from Salmonella enterica serovar Typhimurium LT2.
Descriptor: Single-stranded DNA-binding protein 1
Authors:Luo, R.H, Huang, Y.H, Huang, C.Y.
Deposit date:2021-06-10
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystal Structure of an SSB Protein from Salmonella enterica and Its Inhibition by Flavanonol Taxifolin.
Int J Mol Sci, 23, 2022
7FEV
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BU of 7fev by Molmil
Crystal structure of Old Yellow Enzyme6 (OYE6)
Descriptor: FLAVIN MONONUCLEOTIDE, FMN binding
Authors:Singh, Y, Sharma, R, Mishra, M, Verma, P.K, Saxena, A.K.
Deposit date:2021-07-21
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.594 Å)
Cite:Crystal structure of ArOYE6 reveals a novel C-terminal helical extension and mechanistic insights into the distinct class III OYEs from pathogenic fungi.
Febs J., 289, 2022
5SYQ
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BU of 5syq by Molmil
Solution structure of Aquifex aeolicus Aq1974
Descriptor: Uncharacterized protein aq_1974
Authors:Sachleben, J.R, Gawlak, G, Hoey, R.J, Liu, G, Joachimiak, A, Montelione, G.T, Koide, S, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-08-11
Release date:2016-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Aromatic claw: A new fold with high aromatic content that evades structural prediction.
Protein Sci., 26, 2017
5V2C
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BU of 5v2c by Molmil
RE-REFINEMENT OF CRYSTAL STRUCTURE OF PHOTOSYSTEM II COMPLEX
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Wang, J, Wiwczar, J.M, Brudvig, G.W.
Deposit date:2017-03-03
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chlorophyll a with a farnesyl tail in thermophilic cyanobacteria.
Photosyn. Res., 134, 2017
1H0M
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BU of 1h0m by Molmil
Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA
Descriptor: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP *CP*TP*GP*CP*AP*CP*AP*T)-3', Transcriptional activator protein TraR
Authors:Vannini, A, Volpari, C, Gargioli, C, Muraglia, E, Cortese, R, De Francesco, R, Neddermann, P, Di Marco, S.
Deposit date:2002-06-25
Release date:2002-08-29
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of the Quorum Sensing Protein Trar Bound to its Autoinducer and Target DNA
Embo J., 21, 2002
1Z30
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BU of 1z30 by Molmil
NMR structure of the apical part of stemloop D from cloverleaf 1 of bovine enterovirus 1 RNA
Descriptor: 5'-R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-3'
Authors:Ihle, Y, Ohlenschlager, O, Duchardt, E, Ramachandran, R, Gorlach, M.
Deposit date:2005-03-10
Release date:2005-04-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A novel cGUUAg tetraloop structure with a conserved yYNMGg-type backbone conformation from cloverleaf 1 of bovine enterovirus 1 RNA
Nucleic Acids Res., 33, 2005
5BPX
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BU of 5bpx by Molmil
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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