3M51
 
 | | Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1 | | Descriptor: | 14-3-3-like protein C, 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | | Authors: | Ottmann, C, Rose, R, Waldmann, H. | | Deposit date: | 2010-03-12 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions
Angew.Chem.Int.Ed.Engl., 49, 2010
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3M0O
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3M3I
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3M50
 | | Structure of the 14-3-3/PMA2 complex stabilized by Epibestatin | | Descriptor: | 14-3-3-like protein C, N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine, N.plumbaginifolia H+-translocating ATPase mRNA | | Authors: | Ottmann, C, Rose, R, Waldmann, H. | | Deposit date: | 2010-03-12 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions
Angew.Chem.Int.Ed.Engl., 49, 2010
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3M8P
 | | HIV-1 RT with NNRTI TMC-125 | | Descriptor: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | | Authors: | Harris, S.F, Villasenor, A. | | Deposit date: | 2010-03-18 | | Release date: | 2010-05-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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3NTD
 | | Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase C531S Mutant | | Descriptor: | CHLORIDE ION, COENZYME A, FAD-dependent pyridine nucleotide-disulphide oxidoreductase, ... | | Authors: | Sazinsky, M.H, Warner, M.D, Lukose, V, Lee, K.H, Crane, E.J. | | Deposit date: | 2010-07-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Characterization of an NADH-Dependent Persulfide Reductase from Shewanella loihica PV-4: Implications for the Mechanism of Sulfur Respiration via FAD-Dependent Enzymes .
Biochemistry, 50, 2010
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3V8E
 | | Crystal structure of the yeast nicotinamidase Pnc1p bound to the inhibitor nicotinaldehyde | | Descriptor: | MAGNESIUM ION, Nicotinamidase, ZINC ION | | Authors: | Hoadley, K.A, Smith, B.C, Denu, J.M, Keck, J.L. | | Deposit date: | 2011-12-22 | | Release date: | 2012-01-25 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural and Kinetic Isotope Effect Studies of Nicotinamidase (Pnc1) from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
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3VHA
 | | Hsp90 alpha N-terminal domain in complex with a macrocyclic inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-nonaen-4-amine, Heat shock protein HSP 90-alpha | | Authors: | Fukami, T.A, Ono, N. | | Deposit date: | 2011-08-24 | | Release date: | 2012-07-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Design and synthesis of novel macrocyclic 2-amino-6-arylpyrimidine Hsp90 inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3NY8
 | | Crystal structure of the human beta2 adrenergic receptor in complex with the inverse agonist ICI 118,551 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol, Beta-2 adrenergic receptor, ... | | Authors: | Wacker, D, Fenalti, G, Brown, M.A, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
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3NYJ
 | | Crystal Structure Analysis of APP E2 domain | | Descriptor: | Amyloid beta A4 protein, OSMIUM ION | | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X. | | Deposit date: | 2010-07-15 | | Release date: | 2011-06-01 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The E2 Domains of APP and APLP1 Share a Conserved Mode of Dimerization.
Biochemistry, 50, 2011
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3O3I
 | | Crystal Structure of human Hiwi1 PAZ domain (residues 277-399) in complex with 14-mer RNA (12-bp + 2-nt overhang) containing 2'-OH at its 3'-end | | Descriptor: | Piwi-like protein 1, RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*U)-3') | | Authors: | Tian, Y, Simanshu, D.K, Ma, J.-B, Patel, D.J. | | Deposit date: | 2010-07-24 | | Release date: | 2011-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Inaugural Article: Structural basis for piRNA 2'-O-methylated 3'-end recognition by Piwi PAZ (Piwi/Argonaute/Zwille) domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3VQD
 | | HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | | Descriptor: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3O42
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3VQQ
 | | HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-29 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQP
 | | HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | | Descriptor: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-29 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3NY9
 | | Crystal structure of the human beta2 adrenergic receptor in complex with a novel inverse agonist | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Beta-2 adrenergic receptor, Lysozyme, ... | | Authors: | Fenalti, G, Wacker, D, Brown, M.A, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | | Deposit date: | 2010-07-14 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography
J.Am.Chem.Soc., 132, 2010
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3O2D
 | | Crystal structure of HIV-1 primary receptor CD4 in complex with a potent antiviral antibody | | Descriptor: | T-cell surface glycoprotein CD4, ibalizumab heavy chain, ibalizumab light chain | | Authors: | Freeman, M.M, Seaman, M.S, Rits-Volloch, S, Hong, X, Ho, D.D, Chen, B. | | Deposit date: | 2010-07-22 | | Release date: | 2010-12-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of HIV-1 Primary Receptor CD4 in Complex with a Potent Antiviral Antibody.
Structure, 18, 2010
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3O35
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3NO7
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3VGM
 | | Crystal structure of a ROK family glucokinase from Streptomyces griseus in complex with glucose | | Descriptor: | Glucokinase, POTASSIUM ION, ZINC ION, ... | | Authors: | Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M. | | Deposit date: | 2011-08-15 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
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3O3L
 | | Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,3,4,5)tetrakisphosphate | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Gruninger, R.J, Selinger, L.B, Mosimann, S.C. | | Deposit date: | 2010-07-25 | | Release date: | 2011-12-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural analysis of substrate binding in PTPLPs
To be Published
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3NTA
 | | Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase | | Descriptor: | CHLORIDE ION, COENZYME A, FAD-dependent pyridine nucleotide-disulphide oxidoreductase, ... | | Authors: | Sazinsky, M.H, Crane, E.J, Warner, M.D, Lukose, V, Lee, K.H. | | Deposit date: | 2010-07-03 | | Release date: | 2010-12-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Characterization of an NADH-Dependent Persulfide Reductase from Shewanella loihica PV-4: Implications for the Mechanism of Sulfur Respiration via FAD-Dependent Enzymes .
Biochemistry, 50, 2010
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3VWA
 | | Crystal structure of Cex1p | | Descriptor: | Cytoplasmic export protein 1 | | Authors: | Nozawa, K, Ishitani, R, Nureki, O. | | Deposit date: | 2012-08-13 | | Release date: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Cex1p reveals the mechanism of tRNA trafficking between nucleus and cytoplasm
Nucleic Acids Res., 41, 2013
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3NXF
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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3VQB
 | | HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | | Descriptor: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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