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3VML
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BU of 3vml by Molmil
Chimera 3-isopropylmalate dehydrogenase between Shewanella oneidensis MR-1 (O) and Shewanella benthica DB21 MT-2 (M) from N-terminal: 20% O middle 70% M residual 10% O
Descriptor: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CHLORIDE ION, ...
Authors:Nagae, T, Watanabe, N.
Deposit date:2011-12-13
Release date:2012-12-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure analysis of chimeric 3-isopropylmalate dehydrogenase between the obligate piezophile Shewanella benthica DB21MT-2 and the nonpiezophile Shewanella oneidensis MR-1
To be Published
2Q59
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BU of 2q59 by Molmil
Crystal Structure of PPARgamma LBD bound to full agonist MRL20
Descriptor: (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID, Peroxisome Proliferator-Activated Receptor gamma
Authors:Bruning, J.B, Nettles, K.W.
Deposit date:2007-05-31
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Partial Agonists Activate PPARgamma Using a Helix 12 Independent Mechanism
Structure, 15, 2007
3VSQ
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BU of 3vsq by Molmil
Crystal Structure of the Cytoplasmic Domain of G-Protein-Gated Inward Rectifier Potassium Channel Kir3.2 E236R Mutant in the presence of ethanol
Descriptor: BETA-MERCAPTOETHANOL, G protein-activated inward rectifier potassium channel 2, MAGNESIUM ION
Authors:Inanobe, A, Kurachi, Y.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Coupling of G Protein Binding to Channel Gating in Mammalian Inward Rectifier K+ channels
To be Published
2Q2C
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BU of 2q2c by Molmil
Crystal structures of the arginine-, lysine-, histidine-binding protein ArtJ from the thermophilic bacterium Geobacillus stearothermophilus
Descriptor: ArtJ, GLYCEROL, HISTIDINE, ...
Authors:Vahedi-Faridi, A, Scheffel, F, Eckey, V, Saenger, W, Schneider, E.
Deposit date:2007-05-28
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2
J.Mol.Biol., 375, 2008
3VNE
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BU of 3vne by Molmil
Structure of the ebolavirus protein VP24 from Sudan
Descriptor: Membrane-associated protein VP24
Authors:Zhang, A.P.P.
Deposit date:2012-01-12
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The ebola virus interferon antagonist VP24 directly binds STAT1 and has a novel, pyramidal fold
Plos Pathog., 8, 2012
3DH5
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BU of 3dh5 by Molmil
Crystal structure of bovine pancreatic ribonuclease A (wild-type)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
Deposit date:2008-06-17
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
3DHD
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BU of 3dhd by Molmil
Crystal structure of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide phosphoribosyltransferase, ...
Authors:Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
Deposit date:2008-06-17
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3TPP
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BU of 3tpp by Molmil
Crystal structure of BACE1 complexed with an inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ...
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3DPQ
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BU of 3dpq by Molmil
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B)
Descriptor: Chaperone protein dnaK, SULFATE ION, inhibitor peptide
Authors:Roujeinikova, A.
Deposit date:2008-07-09
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies.
J.Bacteriol., 191, 2009
2Q62
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BU of 2q62 by Molmil
Crystal Structure of ArsH from Sinorhizobium meliloti
Descriptor: SULFATE ION, arsH
Authors:Ye, J, Yang, H, Bhattacharjee, H, Rosen, B.P.
Deposit date:2007-06-04
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the flavoprotein ArsH from Sinorhizobium meliloti
FEBS Lett., 581, 2007
3DIP
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BU of 3dip by Molmil
Crystal structure of an enolase protein from the environmental genome shotgun sequencing of the Sargasso Sea
Descriptor: SULFATE ION, enolase
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Zhang, F, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-20
Release date:2008-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of an enolase protein from the environmental genome shotgun sequencing of the Sargasso Sea
To be Published
3DK6
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BU of 3dk6 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
2PXT
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BU of 2pxt by Molmil
Variant 15 of Ribonucleoprotein Core of the E. Coli Signal Recognition Particle
Descriptor: 4.5 S RNA, COBALT HEXAMMINE(III), Signal recognition particle protein
Authors:Keel, A.Y, Rambo, R.P, Batey, R.T, Kieft, J.S.
Deposit date:2007-05-14
Release date:2007-08-07
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A General Strategy to Solve the Phase Problem in RNA Crystallography.
Structure, 15, 2007
3VUY
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BU of 3vuy by Molmil
Crystal structure of A20 ZF7 in complex with linear tetraubiquitin
Descriptor: POTASSIUM ION, Polyubiquitin-C, Tumor necrosis factor alpha-induced protein 3, ...
Authors:Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2012-07-09
Release date:2013-02-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Specific recognition of linear polyubiquitin by A20 zinc finger 7 is involved in NF-kappaB regulation
Embo J., 31, 2012
3DGQ
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BU of 3dgq by Molmil
Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-06-15
Release date:2009-04-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational design of an organometallic glutathione transferase inhibitor
Angew.Chem.Int.Ed.Engl., 48, 2009
3VWL
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BU of 3vwl by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase G181D/R187S/H266N/D370Y mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ...
Authors:Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
Deposit date:2012-08-30
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
2PUK
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BU of 2puk by Molmil
Crystal structure of the binary complex between ferredoxin: thioredoxin reductase and thioredoxin m
Descriptor: Ferredoxin-thioredoxin reductase, catalytic chain, variable chain, ...
Authors:Dai, S, Friemann, R, Schurmann, P, Eklund, H.
Deposit date:2007-05-09
Release date:2007-07-10
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural snapshots along the reaction pathway of ferredoxin-thioredoxin reductase.
Nature, 448, 2007
3TTW
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BU of 3ttw by Molmil
Structure of the F413E variant of E. coli KatE
Descriptor: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Loewen, P.C, Jha, V.
Deposit date:2011-09-15
Release date:2011-10-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
3VAE
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BU of 3vae by Molmil
Crystal Structure of M. tuberculosis LD-transpeptidase type 2 with Modified Catalytic Cysteine (C354)
Descriptor: DI(HYDROXYETHYL)ETHER, LD-transpeptidase type 2
Authors:Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M.
Deposit date:2011-12-29
Release date:2012-12-12
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
3DI7
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BU of 3di7 by Molmil
Crystal structure of bovine pancreatic ribonuclease A variant (V54A)
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K.
Deposit date:2008-06-20
Release date:2008-07-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability
Proteins, 77, 2009
3VAL
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BU of 3val by Molmil
Structure of U2AF65 variant with BrU5C1 DNA
Descriptor: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*C*UP*UP*UP*(BRU)P*UP*U)-3'), SULFATE ION, ...
Authors:Jenkins, J.L, Frato, K.H, Kielkopf, C.L.
Deposit date:2011-12-29
Release date:2013-02-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
2Q5E
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BU of 2q5e by Molmil
Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2
Descriptor: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION
Authors:Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
3V9I
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BU of 3v9i by Molmil
Crystal structure of human 1-pyrroline-5-carboxylate dehydrogenase mutant S352L
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial
Authors:Tanner, J.J, Singh, R.K.
Deposit date:2011-12-27
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
J.Mol.Biol., 420, 2012
2Q5W
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BU of 2q5w by Molmil
The X-ray Crystal Structure of Molybdopterin Synthase from Staphylococcus aureus
Descriptor: GLYCEROL, Molybdopterin converting factor, subunit 1, ...
Authors:Daniels, J.N, Schindelin, H.
Deposit date:2007-06-03
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a molybdopterin synthase-precursor Z complex: insight into its sulfur transfer mechanism and its role in molybdenum cofactor deficiency.
Biochemistry, 47, 2008
3DKT
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BU of 3dkt by Molmil
Crystal structure of Thermotoga maritima encapsulin
Descriptor: Maritimacin, Putative uncharacterized protein
Authors:Sutter, M, Boehringer, D, Gutmann, S, Weber-Ban, E, Ban, N.
Deposit date:2008-06-26
Release date:2008-09-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis of enzyme encapsulation into a bacterial nanocompartment
Nat.Struct.Mol.Biol., 15, 2008

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