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4IEA
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BU of 4iea by Molmil
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
Descriptor: 14-3-3 protein sigma, RAF proto-oncogene serine/threonine-protein kinase
Authors:Molzan, M, Ottmann, C.
Deposit date:2012-12-13
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
3EXR
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BU of 3exr by Molmil
Crystal structure of KGPDC from Streptococcus mutans
Descriptor: RmpD (Hexulose-6-phosphate synthase)
Authors:Li, G.L, Liu, X, Li, L.F, Su, X.D.
Deposit date:2008-10-16
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Open-closed conformational change revealed by the crystal structures of 3-keto-L-gulonate 6-phosphate decarboxylase from Streptococcus mutans
Biochem.Biophys.Res.Commun., 381, 2009
4IGS
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BU of 4igs by Molmil
Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064
Descriptor: 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A.
Deposit date:2012-12-18
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design.
Acta Crystallogr.,Sect.D, 70, 2014
2BEI
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BU of 2bei by Molmil
X-ray structure of thialysine n-acetyltransferase (SSAT2) from homo sapiens
Descriptor: ACETYL COENZYME *A, Diamine acetyltransferase 2
Authors:Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Bae, E, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-10-24
Release date:2005-11-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Crystal structure of Homo sapiens thialysine Nepsilon-acetyltransferase (HsSSAT2) in complex with acetyl coenzyme A.
Proteins, 64, 2006
4LGG
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BU of 4lgg by Molmil
Structure of 3MB-PP1 bound to analog-sensitive Src kinase
Descriptor: 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
Authors:Lopez, M.S, Dar, A.C, Shokat, K.M.
Deposit date:2013-06-27
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structure-guided inhibitor design expands the scope of analog-sensitive kinase technology.
Acs Chem.Biol., 8, 2013
4IHA
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BU of 4iha by Molmil
Crystal structure of rice DWARF14 (D14) in complex with a GR24 hydrolysis intermediate
Descriptor: (2R,3R)-2,4,4-trihydroxy-3-methylbutanal, Dwarf 88 esterase
Authors:Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
Deposit date:2012-12-18
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
3FFT
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BU of 3fft by Molmil
Crystal Structure of CheY double mutant F14E, E89R complexed with BeF3- and Mn2+
Descriptor: BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, GLYCEROL, ...
Authors:Pazy, Y, Collins, E.J, Bourret, R.B.
Deposit date:2008-12-04
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Matching Biochemical Reaction Kinetics to the Timescales of Life: Structural Determinants That Influence the Autodephosphorylation Rate of Response Regulator Proteins.
J.Mol.Biol., 392, 2009
2IMW
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BU of 2imw by Molmil
Mechanism of Template-Independent Nucleotide Incorporation Catalyzed by a Template-Dependent DNA Polymerase
Descriptor: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3', ...
Authors:Ling, H, Yang, W.
Deposit date:2006-10-05
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanism of Template-independent Nucleotide Incorporation Catalyzed by a Template-dependent DNA Polymerase.
J.Mol.Biol., 365, 2007
4II3
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BU of 4ii3 by Molmil
Crystal structure of S. pombe Ubiquitin activating enzyme 1 (Uba1) in complex with ubiquitin and ATP/Mg
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Olsen, S.K, Lima, C.D.
Deposit date:2012-12-19
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a ubiquitin E1-E2 complex: insights to E1-E2 thioester transfer.
Mol.Cell, 49, 2013
4LFC
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BU of 4lfc by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S rRNA, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T.
Deposit date:2013-06-26
Release date:2014-07-02
Method:X-RAY DIFFRACTION (3.602 Å)
Cite:
to be published, 2013
4LH0
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BU of 4lh0 by Molmil
Structure of mouse 1-Pyrroline-5-Carboxylate Dehydrogenase (ALDH4A1) complexed with glyoxylate
Descriptor: Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, GLYOXYLIC ACID, ...
Authors:Pemberton, T.A, Tanner, J.J.
Deposit date:2013-06-30
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.674 Å)
Cite:Structural basis of substrate selectivity of Delta (1)-pyrroline-5-carboxylate dehydrogenase (ALDH4A1): Semialdehyde chain length.
Arch.Biochem.Biophys., 538, 2013
3EZI
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BU of 3ezi by Molmil
Crystal Structure of the E. coli Histidine Kinase NarX Sensor Domain without Ligand
Descriptor: ISOPROPYL ALCOHOL, Nitrate/nitrite sensor protein narX
Authors:Cheung, J, Hendrickson, W.A.
Deposit date:2008-10-22
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Analysis of Ligand Stimulation of the Histidine Kinase NarX.
Structure, 17, 2009
3EZR
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BU of 3ezr by Molmil
CDK-2 with indazole inhibitor 17 bound at its active site
Descriptor: 3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2
Authors:Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X.
Deposit date:2008-10-23
Release date:2009-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
3F05
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BU of 3f05 by Molmil
Crystal Structure of Synaptotagmin I C2A domain with Mn(II)
Descriptor: MANGANESE (II) ION, SULFATE ION, Synaptotagmin-1
Authors:Guo, F, Dakshinamurthy, R, Thallapuranam, S.K.K, Sakon, J.
Deposit date:2008-10-24
Release date:2009-10-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cystal structure of synaptotagmin I C2A
to be published
2IQ1
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BU of 2iq1 by Molmil
Crystal structure of human PPM1K
Descriptor: MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K
Authors:Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-12
Release date:2006-11-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
3F0D
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BU of 3f0d by Molmil
High resolution crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphatase synthase from Burkholderia pseudomallei
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-10-24
Release date:2008-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
3FIQ
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BU of 3fiq by Molmil
Odorant Binding Protein OBP1
Descriptor: 1,2-ETHANEDIOL, Odorant-binding protein 1F
Authors:White, S.A.
Deposit date:2008-12-12
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure of rat odorant-binding protein OBP1 at 1.6 A resolution
Acta Crystallogr.,Sect.D, 65, 2009
3O79
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BU of 3o79 by Molmil
Crystal Structure of Wild-type Rabbit PrP 126-230
Descriptor: CHLORIDE ION, GLYCEROL, Rabbit PrP, ...
Authors:Sweeting, B, Chakrabartty, A, Pai, E.F.
Deposit date:2010-07-30
Release date:2010-11-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP.
Proc.Natl.Acad.Sci.USA, 107, 2010
3F27
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BU of 3f27 by Molmil
Structure of Sox17 Bound to DNA
Descriptor: DNA (5'-D(*DCP*DCP*DAP*DGP*DGP*DAP*DCP*DAP*DAP*DTP*DAP*DGP*DAP*DGP*DAP*DC)-3'), DNA (5'-D(*DGP*DTP*DCP*DTP*DCP*DTP*DAP*DTP*DTP*DGP*DTP*DCP*DCP*DTP*DGP*DG)-3'), Transcription factor SOX-17
Authors:Palasingam, P, Jauch, R, Ng, C.K.L, Kolatkar, P.R.
Deposit date:2008-10-29
Release date:2009-04-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Structure of Sox17 Bound to DNA Reveals a Conserved Bending Topology but Selective Protein Interaction Platforms
J.Mol.Biol., 388, 2009
4IKZ
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BU of 4ikz by Molmil
Crystal structure of peptide transporter POT (E310Q mutant) in complex with alafosfalin
Descriptor: Di-tripeptide ABC transporter (Permease), N-[(1R)-1-phosphonoethyl]-L-alaninamide, SULFATE ION
Authors:Doki, S, Kato, H.E, Ishitani, R, Nureki, O.
Deposit date:2012-12-28
Release date:2013-07-10
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dynamic mechanism of proton-coupled symport by the peptide transporter POT.
Proc.Natl.Acad.Sci.USA, 110, 2013
3FKW
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BU of 3fkw by Molmil
AmpC K67R mutant apo structure
Descriptor: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
4LJP
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BU of 4ljp by Molmil
Structure of an active ligase (HOIP-H889A)/ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, Polyubiquitin-C, ZINC ION
Authors:Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
4LK3
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BU of 4lk3 by Molmil
Crystal structure of Human UDP-xylose synthase R236A substitution
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYROPHOSPHATE 2-, SULFATE ION, ...
Authors:Walsh Jr, R.M, Polizzi, S.J, Wood, Z.A.
Deposit date:2013-07-05
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Man o' war mutation in UDP-alpha-D-xylose synthase favors the abortive catalytic cycle and uncovers a latent potential for hexamer formation.
Biochemistry, 54, 2015
3F46
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BU of 3f46 by Molmil
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, ...
Authors:Hiromoto, T, Vogt, S, Warkentin, E, Thauer, R.K, Shima, S, Ermler, U.
Deposit date:2008-10-31
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex.
Febs Lett., 583, 2009
3O9A
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BU of 3o9a by Molmil
Crystal Structure of wild-type HIV-1 Protease in complex with kd14
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, PHOSPHATE ION, Pol polyprotein
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2010-08-04
Release date:2011-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013

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