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4JNZ
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Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J.
Deposit date:2013-03-16
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Involvement of the beta 3-alpha 3 Loop of the Proline Dehydrogenase Domain in Allosteric Regulation of Membrane Association of Proline Utilization A.
Biochemistry, 52, 2013
4JOD
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BU of 4jod by Molmil
Crystal structure of human lysophosphatidic acid phosphatase type 6 complexed with Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysophosphatidic acid phosphatase type 6
Authors:Li, J.
Deposit date:2013-03-18
Release date:2013-07-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structures and biochemical studies of human lysophosphatidic acid phosphatase type 6.
Protein Cell, 4, 2013
4JLU
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Crystal structure of BRCA1 BRCT with doubly phosphorylated Abraxas
Descriptor: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
Authors:Badgujar, D, Varma, A.K.
Deposit date:2013-03-13
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of BRCA1 BRCT with doubly phosphorylated Abraxas
To be Published
4JO0
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Crystal Structure of CmlA, a diiron beta-hydroxylase from Streptomyces venezuelae
Descriptor: ACETATE ION, CmlA, FE (III) ION, ...
Authors:Knoot, C.J, Makris, T.M, Wilmot, C.M, Lipscomb, J.D.
Deposit date:2013-03-16
Release date:2013-09-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of a Dinuclear Iron Cluster-Containing beta-Hydroxylase Active in Antibiotic Biosynthesis.
Biochemistry, 52, 2013
2A0N
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BU of 2a0n by Molmil
Crystal structure of Imidazole glycerol phosphate synthase subunit hisF (EC 4.1.3.-) (tm1036) from Thermotoga maritima at 1.64 A resolution
Descriptor: IODIDE ION, Imidazole glycerol phosphate synthase subunit hisF, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-06-16
Release date:2005-07-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of Imidazole glycerol phosphate synthase subunit hisF (EC 4.1.3.-) (tm1036) from Thermotoga maritima at 1.64 A resolution
To be published
2A2M
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BU of 2a2m by Molmil
CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.88 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, hypothetical protein BT3146
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-06-22
Release date:2005-08-09
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of (np_812058.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.88 A resolution
To be published
4JA8
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Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor
Descriptor: 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ...
Authors:Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B.
Deposit date:2013-02-18
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation.
Science, 340, 2013
2A9V
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BU of 2a9v by Molmil
Crystal structure of a putative gmp synthase subunit a protein (ta0944m) from thermoplasma acidophilum at 2.45 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, GMP synthase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2005-07-12
Release date:2005-08-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of (np_394403.1) from THERMOPLASMA ACIDOPHILUM at 2.45 A resolution
To be published
4I58
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BU of 4i58 by Molmil
Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A
Descriptor: Cyclohexylamine Oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Mirza, I.A, Berghuis, A.M.
Deposit date:2012-11-28
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of a Novel Cyclohexylamine Oxidase from Brevibacterium oxydans IH-35A.
Plos One, 8, 2013
4I5R
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BU of 4i5r by Molmil
Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ...
Authors:Arnold, F.H, Wu, I.
Deposit date:2012-11-28
Release date:2013-04-03
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
4I7M
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T4 Lysozyme L99A/M102H with 2-allylphenol bound
Descriptor: 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I6Z
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BU of 4i6z by Molmil
Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide
Descriptor: DNA OLIGONUCLEOTIDE, Transcriptional regulator, TetR family
Authors:Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-11-30
Release date:2013-01-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide
To be Published
4I7N
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BU of 4i7n by Molmil
T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound
Descriptor: (1R)-1-phenylprop-2-yn-1-ol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4HUO
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BU of 4huo by Molmil
Structure of Ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanine
Descriptor: N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine, Ricin
Authors:Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D.
Deposit date:2012-11-02
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Peptide-conjugated pterins as inhibitors of ricin toxin A.
J.Med.Chem., 56, 2013
4HUT
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BU of 4hut by Molmil
Structure of ATP:co(I)rrinoid adenosyltransferase (CobA) from Salmonella enterica in complex with four and five-coordinate cob(II)alamin and ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, COBALAMIN, ...
Authors:Moore, T.C, Newmister, S.A, Rayment, I, Escalante-Semerena, J.C.
Deposit date:2012-11-04
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into the Mechanism of Four-Coordinate Cob(II)alamin Formation in the Active Site of the Salmonella enterica ATP:Co(I)rrinoid Adenosyltransferase Enzyme: Critical Role of Residues Phe91 and Trp93.
Biochemistry, 51, 2012
4HSG
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BU of 4hsg by Molmil
Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD)
Descriptor: 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION
Authors:Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC)
Deposit date:2012-10-30
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.
J. Med. Chem., 56, 2013
4HVL
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BU of 4hvl by Molmil
Structure of a serine protease MycP1, an essential component of the type VII (ESX-1) secretion system
Descriptor: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2012-11-06
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
4HWO
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BU of 4hwo by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor: N-{[3-(4-aminoquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.907 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
4I7P
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BU of 4i7p by Molmil
T4 Lysozyme L99A/M102H with 4-bromoimidazole bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, 4-bromo-1H-imidazole, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4HVV
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BU of 4hvv by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
Descriptor: Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, SYNTHETIC PEPTIDE Acetyl-APPLPPRNRP
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4I3W
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BU of 4i3w by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with gylceraldehyde-3-phosphate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), GLYCERALDEHYDE-3-PHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4I1O
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BU of 4i1o by Molmil
Crystal structure of the Legionella pneumophila GAP domain of LepB in complex with Rab1b bound to GDP and BeF3
Descriptor: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Gazdag, E.M, Streller, A, Vetter, I.R, Goody, R.S, Itzen, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Mechanism of Rab1b deactivation by the Legionella pneumophila GAP LepB.
Embo Rep., 14, 2013
4I7K
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BU of 4i7k by Molmil
T4 Lysozyme L99A/M102H with toluene bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
4I3T
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BU of 4i3t by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in the apo state
Descriptor: Aldehyde dehydrogenase (NAD+), PHOSPHATE ION
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4J9U
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BU of 4j9u by Molmil
Crystal Structure of the TrkH/TrkA potassium transport complex
Descriptor: HEXATANTALUM DODECABROMIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Cao, Y, Jin, X, Huang, H, Levin, E.J, Zhou, M, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2013-02-17
Release date:2013-04-03
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Gating of the TrkH ion channel by its associated RCK protein TrkA.
Nature, 496, 2013

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