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3MHL
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BU of 3mhl by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide
Descriptor: 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Grazulis, S, Manakova, E, Golovenko, D.
Deposit date:2010-04-08
Release date:2010-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
3MYX
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Crystal structure of a PSPTO_0244 (Protein with unknown function which belongs to Pfam DUF861 family) from Pseudomonas syringae pv. tomato str. DC3000 at 1.30 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, uncharacterized protein PSPTO_0244
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-11
Release date:2010-06-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of a PSPTO_0244 (Protein with unknown function which belongs to Pfam DUF861 family) from Pseudomonas syringae pv. tomato str. DC3000 at 1.30 A resolution
To be published
3KTJ
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Structure of ClpP in complex with ADEP2 in monoclinic crystal form
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ATP-dependent Clp protease proteolytic subunit, Acyldepsipeptide 2
Authors:Lee, B.-G, Brotz-Oesterhelt, H, Song, H.K.
Deposit date:2009-11-25
Release date:2010-03-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of ClpP in complex with acyldepsipeptide antibiotics reveal its activation mechanism
Nat.Struct.Mol.Biol., 17, 2010
3KU4
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BU of 3ku4 by Molmil
Trapping of an oxocarbenium ion intermediate in UP crystals
Descriptor: SULFATE ION, Uridine phosphorylase
Authors:Paul, D, O'Leary, S, Rajashankar, K, Bu, W, Toms, A, Settembre, E, Sanders, J, Begley, T.P, Ealick, S.E.
Deposit date:2009-11-26
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KGS
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BU of 3kgs by Molmil
V30M mutant human transthyretin (TTR) (apoV30M) pH 7.5
Descriptor: Transthyretin
Authors:Trivella, D.B, Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KGY
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Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution
Descriptor: 1,2-ETHANEDIOL, Bifunctional deaminase-reductase domain protein, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-29
Release date:2009-11-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Putative dihydrofolate reductase (YP_001636057.1) from CHLOROFLEXUS AURANTIACUS J-10-FL at 1.50 A resolution
To be published
3KH9
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Crystal structure of the periplasmic soluble domain of oxidized CcmG from Pseudomonas aeruginosa
Descriptor: Thiol:disulfide interchange protein dsbE
Authors:Di Matteo, A, Calosci, N, Gianni, S, Jemth, P, Brunori, M, Travaglini Allocatelli, C.
Deposit date:2009-10-30
Release date:2010-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus.
Proteins, 78, 2010
3KJG
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ADP-bound state of CooC1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC
Authors:Jeoung, J.-H, Dobbek, H.
Deposit date:2009-11-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the ATP-Dependent Maturation Factor of Ni,Fe-Containing Carbon Monoxide Dehydrogenases
J.Mol.Biol., 396, 2010
3KXF
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Crystal Structure of SB27 TCR in complex with the 'restriction triad' mutant HLA-B*3508-13mer
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ...
Authors:Archbold, J.K, Tynan, F.E, Gras, S, Rossjohn, J.
Deposit date:2009-12-03
Release date:2010-06-09
Last modified:2014-02-26
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
Proc.Natl.Acad.Sci.USA, 107, 2010
3KKF
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Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_810307.1) from Bacteriodes thetaiotaomicron VPI-5482 at 1.30 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-05
Release date:2009-12-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of Putative antibiotic biosynthesis monooxygenase (NP_810307.1) from Bacteriodes thetaiotaomicron VPI-5482 at 1.30 A resolution
To be published
3L0P
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Crystal structures of Iron containing Adenylate kinase from Desulfovibrio gigas
Descriptor: Adenylate kinase, FE (III) ION, GLYCEROL
Authors:Mukhopadhyay, A, Trincao, J, Romao, M.J.
Deposit date:2009-12-10
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria
J.Biol.Inorg.Chem., 16, 2011
3L16
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Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
Descriptor: 5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3KL9
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BU of 3kl9 by Molmil
Crystal structure of PepA from Streptococcus pneumoniae
Descriptor: Glutamyl aminopeptidase, ZINC ION
Authors:Kim, K.K, Lee, S, Kim, D.
Deposit date:2009-11-07
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the substrate specificity of PepA from Streptococcus pneumoniae, a dodecameric tetrahedral protease
Biochem.Biophys.Res.Commun., 391, 2010
3L1J
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BU of 3l1j by Molmil
Crystal structure of EstE5, was soaked by ZnSO4
Descriptor: Esterase/lipase
Authors:Nam, K.H, Hwang, K.Y.
Deposit date:2009-12-11
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the noninvasive inhibition of HSL-homolog EstE5 by organic solvents and metal ions
To be Published
3L1S
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BU of 3l1s by Molmil
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
3L2W
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BU of 3l2w by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with manganese and GS9137 (Elvitegravir)
Descriptor: 5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*TP*GP*TP*A)-3', 5'-D(*TP*AP*CP*AP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3', 6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ...
Authors:Hare, S, Gupta, S.S, Cherepanov, P.
Deposit date:2009-12-15
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Retroviral intasome assembly and inhibition of DNA strand transfer
Nature, 464, 2010
3KN8
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BU of 3kn8 by Molmil
Crystal Structure of Haemophilus influenzae Y196A mutant Holo Ferric ion-Binding Protein A
Descriptor: FE (III) ION, Iron-utilization periplasmic protein, PHOSPHATE ION
Authors:Shouldice, S.R, Schryvers, A.B.
Deposit date:2009-11-12
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The role of vicinal tyrosine residues in the function of Haemophilus influenzae ferric binding protein A.
Biochem.J., 2010
3L3T
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BU of 3l3t by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor variant (APPIR15K)
Descriptor: CALCIUM ION, FORMIC ACID, PRSS3 protein, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2009-12-17
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.378 Å)
Cite:Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
3KO4
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BU of 3ko4 by Molmil
Crystal structure of D-Tyr-tRNA(Tyr) deacylase from Plasmodium falciparum in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOC
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BU of 3koc by Molmil
DTD from Plasmodium falciparum in complex with D-Histidine
Descriptor: D-HISTIDINE, D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-13
Release date:2009-12-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3L51
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BU of 3l51 by Molmil
Crystal Structure of the Mouse Condensin Hinge Domain
Descriptor: GLYCEROL, Structural maintenance of chromosomes protein 2, Structural maintenance of chromosomes protein 4
Authors:Griese, J.J, Hopfner, K.-P.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Structure and DNA binding activity of the mouse condensin hinge domain highlight common and diverse features of SMC proteins
Nucleic Acids Res., 38, 2010
3KEB
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BU of 3keb by Molmil
Thiol peroxidase from Chromobacterium violaceum
Descriptor: CHLORIDE ION, Probable thiol peroxidase, SULFATE ION
Authors:Osipiuk, J, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-10-25
Release date:2009-11-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of thiol peroxidase from Chromobacterium violaceum
To be Published
3KEP
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BU of 3kep by Molmil
Crystal structure of the autoproteolytic domain from the nuclear pore complex component NUP145 from Saccharomyces cerevisiae
Descriptor: 1,2-ETHANEDIOL, Nucleoporin NUP145
Authors:Sampathkumar, P, Ozyurt, S.A, Do, J, Bain, K, Dickey, M, Gheyi, T, Sali, A, Kim, S.J, Phillips, J, Pieper, U, Fernandez-Martinez, J, Franke, J.D, Atwell, S, Thompson, D.A, Emtage, J.S, Wasserman, S, Rout, M, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-26
Release date:2009-12-22
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structures of the autoproteolytic domain from the Saccharomyces cerevisiae nuclear pore complex component, Nup145.
Proteins, 78, 2010
3KQV
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BU of 3kqv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Formanilide
Descriptor: FORMANILIDE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KG9
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BU of 3kg9 by Molmil
Dehydratase domain from CurK module of Curacin polyketide synthase
Descriptor: CurK
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010

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