2AN5
 
 | | Structure of human PNMT complexed with S-adenosyl-homocysteine and an inhibitor, trans-(1S,2S)-2-amino-1-tetralol | | Descriptor: | PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | | Deposit date: | 2005-08-11 | | Release date: | 2006-03-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
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3LP3
 | | p15 HIV RNaseH domain with inhibitor MK3 | | Descriptor: | 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, p15 | | Authors: | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | | Deposit date: | 2010-02-04 | | Release date: | 2010-06-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
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2QPN
 | | GES-1 beta-lactamase | | Descriptor: | Beta-lactamase GES-1, SULFATE ION | | Authors: | Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S. | | Deposit date: | 2007-07-24 | | Release date: | 2008-08-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
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2FNT
 | | Crystal structure of a drug-resistant (V82A) inactive (D25N) HIV-1 protease complexed with AP2V variant of HIV-1 NC-p1 substrate. | | Descriptor: | ACETATE ION, NC-p1 substrate PEPTIDE, PHOSPHATE ION, ... | | Authors: | Prabu-Jeyabaln, M, Nalivaika, E.A, Schiffer, C.A. | | Deposit date: | 2006-01-11 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Mechanism of substrate recognition by drug-resistant human immunodeficiency virus type 1 protease variants revealed by a novel structural intermediate.
J.Virol., 80, 2006
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4HOA
 | | Crystal structure of the complex of type 1 ribosome inactivating protein from Momordica Balsamina with B-D-galactopyranosyl-(1-4)-D-glucose at 2.0 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Yamini, S, Pandey, N, Kushwaha, G.S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-10-22 | | Release date: | 2012-11-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the complex of type 1 ribosome inactivating protein from Momordica Balsamina with B-D-galactopyranosyl-(1-4)-D-glucose at 2.0 A resolution
To be Published
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2G5O
 | | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide | | Descriptor: | (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | | Deposit date: | 2006-02-23 | | Release date: | 2007-03-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
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2QTS
 | | Structure of an acid-sensing ion channel 1 at 1.9 A resolution and low pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel, CHLORIDE ION, ... | | Authors: | Jasti, J, Furukawa, H, Gonzales, E.B, Gouaux, E. | | Deposit date: | 2007-08-02 | | Release date: | 2007-09-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of acid-sensing ion channel 1 at 1.9A resolution and low pH
Nature, 449, 2007
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2H3V
 | | Structure of the HIV-1 Matrix protein bound to di-C8-phosphatidylinositol-(4,5)-bisphosphate | | Descriptor: | Gag polyprotein, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Saad, J.S, Miller, J, Tai, J, Kim, A, Ghanam, R.H, Summers, M.F. | | Deposit date: | 2006-05-23 | | Release date: | 2006-07-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structural basis for targeting HIV-1 Gag proteins to the plasma membrane for virus assembly.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2E5C
 | | Crystal structure of Human NMPRTase complexed with 5'-phosphoribosyl-1'-pyrophosphate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Nicotinamide phosphoribosyltransferase | | Authors: | Takahashi, R, Nakamura, S, Kobayashi, Y, Ohkubo, T. | | Deposit date: | 2006-12-20 | | Release date: | 2007-12-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and reaction mechanism of human nicotinamide phosphoribosyltransferase
J.Biochem., 147, 2010
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1RXM
 | | C-terminal region of FEN-1 bound to A. fulgidus PCNA | | Descriptor: | DNA polymerase sliding clamp, consensus FEN-1 peptide | | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | | Deposit date: | 2003-12-18 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair
Cell(Cambridge,Mass.), 116, 2004
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2E30
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2GVI
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1BOF
 | | GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM | | Descriptor: | GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Coleman, D.E, Sprang, S.R. | | Deposit date: | 1998-08-04 | | Release date: | 1999-01-06 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment.
Biochemistry, 37, 1998
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2FMU
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2B3Y
 | | Structure of a monoclinic crystal form of human cytosolic aconitase (IRP1) | | Descriptor: | ACETATE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Dupuy, J, Fontecilla-Camps, J.C, Volbeda, A. | | Deposit date: | 2005-09-22 | | Release date: | 2006-01-10 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of human iron regulatory protein 1 as cytosolic aconitase
Structure, 14, 2006
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2AN3
 | | Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol. | | Descriptor: | CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Gee, C.L, Tyndall, J.D.A, Grunewald, G.L, Wu, Q, McLeish, M.J, Martin, J.L. | | Deposit date: | 2005-08-11 | | Release date: | 2006-03-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis
Biochemistry, 44, 2005
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2JTY
 | | Self-complemented variant of FimA, the main subunit of type 1 pilus | | Descriptor: | Type-1 fimbrial protein, A chain | | Authors: | Erilov, D, Wider, G, Glockshuber, R, Puorger, C, Vetsch, M. | | Deposit date: | 2007-08-09 | | Release date: | 2008-08-12 | | Last modified: | 2024-11-27 | | Method: | SOLUTION NMR | | Cite: | Structure, Folding and Stability of FimA, the Main Structural Subunit of Type 1 Pili from Uropathogenic Escherichia coli Strains.
J.Mol.Biol., 412, 2011
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2JY6
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1ISI
 | | Crystal Structure Analysis of BST-1/CD157 complexed with ethenoNAD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NICOTINAMIDE, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate, ... | | Authors: | Yamamoto-Katayama, S, Ariyoshi, M, Ishihara, K, Hirano, T, Jingami, H, Morikawa, K. | | Deposit date: | 2001-12-05 | | Release date: | 2002-03-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic studies on human BST-1/CD157 with ADP-ribosyl cyclase and NAD glycohydrolase activities.
J.Mol.Biol., 316, 2002
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2ORD
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3BXP
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4HHY
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | Descriptor: | (9aR)-1-[(1-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperidin-4-yl)carbonyl]-1,2,3,8,9,9a-hexahydro-7H-benzo[de][1,7]naphthyridin-7-one, DI(HYDROXYETHYL)ETHER, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3637 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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3O1C
 | | High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) C38A mutant from rabbit complexed with Adenosine | | Descriptor: | ADENOSINE, Histidine triad nucleotide-binding protein 1, SODIUM ION | | Authors: | Dolot, R.M, Ozga, M, Krakowiak, A.K, Nawrot, B, Stec, W.J. | | Deposit date: | 2010-07-21 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates.
J.Biol.Chem., 285, 2010
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3O1X
 | | High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) C84A mutant from rabbit complexed with adenosine | | Descriptor: | ADENOSINE, Histidine triad nucleotide-binding protein 1, SODIUM ION | | Authors: | Dolot, R.M, Ozga, M, Krakowiak, A.K, Nawrot, B, Stec, W.J. | | Deposit date: | 2010-07-22 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates.
J.Biol.Chem., 285, 2010
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4HHZ
 | | Crystal structure of PARP catalytic domain in complex with novel inhibitors | | Descriptor: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | | Deposit date: | 2012-10-10 | | Release date: | 2013-03-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7199 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of a Series of Benzo[de][1,7]naphthyridin-7(8H)-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors.
J.Med.Chem., 56, 2013
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