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2V86
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BU of 2v86 by Molmil
Crystal structure of RAG2-PHD finger in complex with H3R2me2aK4me3 peptide
Descriptor: H3R2ME2AK4ME3 PEPTIDE, VDJ RECOMBINATION-ACTIVATING PROTEIN 2, ZINC ION
Authors:Ramon-Maiques, S, Yang, W.
Deposit date:2007-08-02
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Plant Homeodomain Finger of Rag2 Recognizes Histone H3 Methylated at Both Lysine-4 and Arginine-2.
Proc.Natl.Acad.Sci.USA, 104, 2007
3JZ0
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BU of 3jz0 by Molmil
LinB complexed with clindamycin and AMPCPP
Descriptor: CLINDAMYCIN, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Lincosamide nucleotidyltransferase, ...
Authors:Morar, M, Wright, G.D.
Deposit date:2009-09-22
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and mechanism of the lincosamide antibiotic adenylyltransferase LinB.
Structure, 17, 2009
4IHH
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BU of 4ihh by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, ...
Authors:Masoudi, A, Raetz, C.R.H, Pemble, C.W.
Deposit date:2012-12-18
Release date:2013-11-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.132 Å)
Cite:Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
2X31
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BU of 2x31 by Molmil
Modelling of the complex between subunits BchI and BchD of magnesium chelatase based on single-particle cryo-EM reconstruction at 7.5 ang
Descriptor: MAGNESIUM-CHELATASE 38 KDA SUBUNIT, MAGNESIUM-CHELATASE 60 KDA SUBUNIT
Authors:Lunqvist, J, Elmlund, H, Peterson Wulff, R, Berglund, L, Elmlund, D, Emanuelsson, C, Hebert, H, Willows, R.D, Hansson, M, Lindahl, M, Al-Karadaghi, S.
Deposit date:2010-01-19
Release date:2010-11-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:ATP-Induced Conformational Dynamics in the Aaa+ Motor Unit of Magnesium Chelatase.
Structure, 18, 2010
2WJO
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BU of 2wjo by Molmil
human Bace (beta secretase) in complex with Cyclohexanecarboxylic acid (2-(2-am ino-6-phenoxy-4H-quinazolin-3-yl)-2 -cyclohexyl-ethyl)- amide
Descriptor: 2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM, BETA-SECRETASE 1
Authors:Mathieu, M, Dupuy, A.S.
Deposit date:2009-05-28
Release date:2010-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Shape and Medicinal Chemistry: A Perspective.
J.Med.Chem., 53, 2010
2WW5
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BU of 2ww5 by Molmil
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution
Descriptor: 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ...
Authors:Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M.
Deposit date:2009-10-21
Release date:2010-04-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
3RLF
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BU of 3rlf by Molmil
Crystal structure of the maltose-binding protein/maltose transporter complex in an outward-facing conformation bound to MgAMPPNP
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, MAGNESIUM ION, Maltose transport system permease protein malF, ...
Authors:Oldham, M.L, Chen, J.
Deposit date:2011-04-19
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Snapshots of the maltose transporter during ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2VKR
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BU of 2vkr by Molmil
3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin
Descriptor: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ZINC ION, ...
Authors:Frazao, C, Aragao, D, Coelho, R, Leal, S.S, Gomes, C.M, Teixeira, M, Carrondo, M.A.
Deposit date:2007-12-23
Release date:2008-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystallographic analysis of the intact metal centres [3Fe-4S](1+/0) and [4Fe-4S](2+/1+) in a Zn(2+) -containing ferredoxin.
FEBS Lett., 582, 2008
3K14
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BU of 3k14 by Molmil
Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-25
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
2W6P
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BU of 2w6p by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine
Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
3K9W
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BU of 3k9w by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei with hydrolyzed 3'-dephospho Coenzyme A
Descriptor: 4'-diphospho pantetheine, ACETATE ION, ADENINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-16
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
2W6M
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BU of 2w6m by Molmil
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION
Authors:Mochalkin, I, Miller, J.R.
Deposit date:2008-12-18
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
3PDB
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BU of 3pdb by Molmil
Crystal structure of mouse mitochondrial aspartate aminotransferase in complex with oxaloacetic acid
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, mitochondrial, ...
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2010-10-22
Release date:2010-11-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV.
Biosci.Rep., 31, 2011
2WWC
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BU of 2wwc by Molmil
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand
Descriptor: 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL
Authors:Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L.
Deposit date:2009-10-22
Release date:2010-04-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
3GPD
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BU of 3gpd by Molmil
TWINNING IN CRYSTALS OF HUMAN SKELETAL MUSCLE D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Watson, H.C, Campbell, J.C.
Deposit date:1983-06-20
Release date:1983-10-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Twinning in crystals of human skeletal muscle D-glyceraldehyde-3-phosphate dehydrogenase.
J.Mol.Biol., 104, 1976
3S56
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BU of 3s56 by Molmil
HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug saquinavir
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
Authors:Tie, Y.-F, Wang, Y.-F, Weber, I.T.
Deposit date:2011-05-20
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
2WZ7
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BU of 2wz7 by Molmil
Crystal structure of the N-terminal domain of E.coli YbgF
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Krachler, A.M, Sharma, A, Kleanthous, C.
Deposit date:2009-11-24
Release date:2010-09-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Tola Modulates the Oligomeric Status of Ybgf in the Bacterial Periplasm.
J.Mol.Biol., 403, 2010
4KGQ
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BU of 4kgq by Molmil
Crystal structure of a human light loop mutant in complex with dcr3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Tumor necrosis factor ligand superfamily member 14, ...
Authors:Liu, W, Zhan, C, Bonanno, J.B, Sampathkumar, P, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-04-29
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Mechanistic basis for functional promiscuity in the TNF and TNF receptor superfamilies: structure of the LIGHT:DcR3 assembly.
Structure, 22, 2014
3QUR
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BU of 3qur by Molmil
Crystal structure of fosfomycin resistance kinase FomA from Streptomyces wedmorensis complexed with MgADP and fosfomycin monophosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FomA protein, MAGNESIUM ION, ...
Authors:Pakhomova, S, Bartlett, S.G, Doerner, P.A, Newcomer, M.E.
Deposit date:2011-02-24
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA.
Biochemistry, 50, 2011
3QUN
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BU of 3qun by Molmil
Crystal structure of fosfomycin resistance kinase FomA from Streptomyces wedmorensis complexed with MgATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, FomA protein, GLYCEROL, ...
Authors:Pakhomova, S, Bartlett, S.G, Doerner, P.A, Newcomer, M.E.
Deposit date:2011-02-24
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural and biochemical insights into the mechanism of fosfomycin phosphorylation by fosfomycin resistance kinase FomA.
Biochemistry, 50, 2011
3S6G
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BU of 3s6g by Molmil
Crystal structures of Seleno-substituted mutant mmNAGS in space group P212121
Descriptor: 1,2-ETHANEDIOL, COENZYME A, MALONATE ION, ...
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6681 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
4IHF
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BU of 4ihf by Molmil
Chasing Acyl Carrier Protein Through a Catalytic Cycle of Lipid A Production
Descriptor: Acyl carrier protein, CHLORIDE ION, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate, ...
Authors:Masoudi, A, Raetz, C.R.H, Pemble, C.W.
Deposit date:2012-12-18
Release date:2013-11-13
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Chasing acyl carrier protein through a catalytic cycle of lipid A production.
Nature, 505, 2014
3S53
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HIV-1 protease triple mutants V32I, I47V, V82I with antiviral drug darunavir in space group P212121
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, IODIDE ION, PHOSPHATE ION, ...
Authors:Tie, Y.-F, Wang, Y.-F, Weber, I.T.
Deposit date:2011-05-20
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Critical differences in HIV-1 and HIV-2 protease specificity for clinical inhibitors.
Protein Sci., 21, 2012
3S6H
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BU of 3s6h by Molmil
Crystal structure of native mmNAGS/k
Descriptor: COENZYME A, GLUTAMIC ACID, N-acetylglutamate kinase / N-acetylglutamate synthase
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
3S8B
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BU of 3s8b by Molmil
Structure of Yeast Ribonucleotide Reductase 1 with AMPPNP and CDP
Descriptor: CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Ahmad, M.F, Kaushal, P.S, Wan, Q, Wijeratna, S.R, Huang, M, Dealwis, C.D.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and biochemical basis of lethal mutant R293A of yeast ribonucleotide reductase
To be Published

225946

數據於2024-10-09公開中

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