2W3Z
 
 | | Structure of a Streptococcus mutans CE4 esterase | | Descriptor: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | | Authors: | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | | Deposit date: | 2008-11-17 | | Release date: | 2008-12-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
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1W2Z
 | | PSAO and Xenon | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | | Authors: | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | | Deposit date: | 2004-07-11 | | Release date: | 2004-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases.
J.Mol.Biol., 344, 2004
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2011-02-02 | | Release date: | 2011-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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3SDE
 | | Crystal structure of a paraspeckle-protein heterodimer, PSPC1/NONO | | Descriptor: | 1,2-ETHANEDIOL, Non-POU domain-containing octamer-binding protein, Paraspeckle component 1 | | Authors: | Passon, D.M, Lee, M, Bond, C.S. | | Deposit date: | 2011-06-09 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the heterodimer of human NONO and paraspeckle protein component 1 and analysis of its role in subnuclear body formation.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3OUV
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4URJ
 | | Crystal structure of human BJ-TSA-9 | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | | Deposit date: | 2014-06-30 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Crystal Structure of Human Bj-Tsa-9
To be Published
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3OYO
 | | Crystal structure of hemopexin fold protein CP4 from cow pea | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Gaur, V, Chanana, V, Salunke, D.M. | | Deposit date: | 2010-09-23 | | Release date: | 2011-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of a haemopexin-fold protein from cow pea (Vigna unguiculata) suggests functional diversity of haemopexins in plants
Acta Crystallogr.,Sect.F, 67, 2011
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8ITS
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3PRV
 | | Nucleoside diphosphate kinase B from Trypanosoma cruzi | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Souza, T.A.C.B, Trindade, D.M, Tonoli, C.C.C, Santos, C.R, Oliveira, A.H.C, Murakami, M.T. | | Deposit date: | 2010-11-30 | | Release date: | 2011-05-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Molecular adaptability of nucleoside diphosphate kinase b from trypanosomatid parasites: stability, oligomerization and structural determinants of nucleotide binding.
Mol Biosyst, 7, 2011
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3PWY
 | | Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2 | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide | | Authors: | Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J. | | Deposit date: | 2010-12-09 | | Release date: | 2011-04-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
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3R1H
 | | Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Ca2+ bound | | Descriptor: | 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', CALCIUM ION, Class I ligase ribozyme, ... | | Authors: | Shechner, D.M, Bartel, D.P. | | Deposit date: | 2011-03-10 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
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3QUX
 | | Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M. | | Deposit date: | 2011-02-24 | | Release date: | 2011-06-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
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3RGM
 | | Crystal structure of spin-labeled BtuB T156R1 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Horanyi, P.S, Freed, D.M, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2011-04-08 | | Release date: | 2011-10-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
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3R6P
 | | Crystal structure of abscisic acid-bound PYL10 | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL10 | | Authors: | Sun, D.M, Wu, M.H, Wang, H.P, Zang, J.Y, Tian, C.L. | | Deposit date: | 2011-03-22 | | Release date: | 2011-12-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of abscisic acid-bound PYL10
To be Published
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3R0T
 | | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 | | Descriptor: | 1,2-ETHANEDIOL, 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, ... | | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | | Deposit date: | 2011-03-09 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
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3RTQ
 | | Structure of the mouse CD1d-HS44-iNKT TCR complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Yu, E.D, Zajonc, D.M. | | Deposit date: | 2011-05-03 | | Release date: | 2012-02-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional characterization of a novel nonglycosidic type I NKT agonist with immunomodulatory properties.
J.Immunol., 188, 2012
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3RGN
 | | Crystal structure of spin-labeled BtuB W371R1 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, ... | | Authors: | Freed, D.M, Horanyi, P.S, Wiener, M.C, Cafiso, D.S. | | Deposit date: | 2011-04-08 | | Release date: | 2011-10-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Origin of Electron Paramagnetic Resonance Line Shapes on β-Barrel Membrane Proteins: The Local Solvation Environment Modulates Spin-Label Configuration
Biochemistry, 50, 2011
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3R1L
 | | Crystal structure of the Class I ligase ribozyme-substrate preligation complex, C47U mutant, Mg2+ bound | | Descriptor: | 5'-R(*UP*CP*CP*AP*GP*UP*A)-3', Class I ligase ribozyme, MAGNESIUM ION, ... | | Authors: | Shechner, D.M, Bartel, D.P. | | Deposit date: | 2011-03-10 | | Release date: | 2011-08-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.125 Å) | | Cite: | The structural basis of RNA-catalyzed RNA polymerization.
Nat.Struct.Mol.Biol., 18, 2011
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3PE1
 | | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945 | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | | Deposit date: | 2010-10-25 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
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3PDS
 | | Irreversible Agonist-Beta2 Adrenoceptor Complex | | Descriptor: | 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ... | | Authors: | Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K. | | Deposit date: | 2010-10-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
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3PE2
 | | Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011 | | Descriptor: | 5-[(3-ethynylphenyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Battistutta, R, Papinutto, E, Lolli, G, Pierre, F, Haddach, M, Ryckman, D.M. | | Deposit date: | 2010-10-25 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Biochemistry, 50, 2011
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3OJD
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3OR7
 | | On the structural basis of modal gating behavior in K+channels - E71I | | Descriptor: | POTASSIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | | Authors: | Chakrapani, S, Cordero-Morales, J.F, Jogini, V, Pan, A.C, Cortes, D.M, Roux, B, Perozo, E. | | Deposit date: | 2010-09-06 | | Release date: | 2011-01-05 | | Last modified: | 2018-08-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | On the structural basis of modal gating behavior in K(+) channels.
Nat.Struct.Mol.Biol., 18, 2011
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3P0G
 | | Structure of a nanobody-stabilized active state of the beta2 adrenoceptor | | Descriptor: | 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor, Lysozyme, ... | | Authors: | Rasmussen, S.G.F, Choi, H.-J, Fung, J.J, Pardon, E, Casarosa, P, Chae, P.S, DeVree, B.T, Rosenbaum, D.M, Thian, F.S, Kobilka, T.S, Schnapp, A, Konetzki, I, Sunahara, R.K, Gellman, S.H, Pautsch, A, Steyaert, J, Weis, W.I, Kobilka, B.K. | | Deposit date: | 2010-09-28 | | Release date: | 2011-01-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a nanobody-stabilized active state of the b2 adrenoceptor
Nature, 469, 2011
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3RTR
 | | A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases | | Descriptor: | Cullin-1, E3 ubiquitin-protein ligase RBX1, ZINC ION | | Authors: | Calabrese, M.F, Scott, D.C, Duda, D.M, Grace, C.R, Kurinov, I, Kriwacki, R.W, Schulman, B.A. | | Deposit date: | 2011-05-03 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.21 Å) | | Cite: | A RING E3-substrate complex poised for ubiquitin-like protein transfer: structural insights into cullin-RING ligases.
Nat.Struct.Mol.Biol., 18, 2011
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