2L70
| NMR solution structure of GIP in micellular media | Descriptor: | Gastric inhibitory polypeptide | Authors: | Venneti, K.C, Alana, I, O'Harte, F.P.M, Malthouse, P.J.G, Hewage, C.M. | Deposit date: | 2010-12-01 | Release date: | 2011-10-19 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Conformational, receptor interaction and alanine scan studies of glucose-dependent insulinotropic polypeptide Biochim.Biophys.Acta, 1814, 2011
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4K4S
| Poliovirus polymerase elongation complex (r3_form) | Descriptor: | GLYCEROL, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*CP*GP*AP*AP*A)-3'), RNA (5'-R(*GP*GP*GP*AP*GP*AP*UP*GP*A)-3'), ... | Authors: | Gong, P, Peersen, O.B. | Deposit date: | 2013-04-12 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts. Plos One, 8, 2013
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4CVY
| Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. | Descriptor: | DIOXYGENASE RV3406/MT3514, FE (III) ION, NITRATE ION | Authors: | Neres, J, Hartkoorn, R.C, Chiarelli, L.R, Gadupudi, R, Pasca, M, Mori, G, Farina, D, Salina, S, Makarov, V, Kolly, G.S, Molteni, E, Binda, C, Dhar, N, Ferrari, S, Brodin, P, Delorme, V, Landry, V, de Jesus Lopes Ribeiro, A.L, Saxena, P, Pojer, F, Venturelli, A, Carta, A, Luciani, R, Porta, A, Zanoni, G, De Rossi, E, Costi, M.P, Riccardi, G, Cole, S.T. | Deposit date: | 2014-03-31 | Release date: | 2014-12-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. Acs Chem.Biol., 10, 2015
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1MFI
| CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR COMPLEXED WITH (E)-2-FLUORO-P-HYDROXYCINNAMATE | Descriptor: | 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, PROTEIN (MACROPHAGE MIGRATION INHIBITORY FACTOR) | Authors: | Taylor, A.B, Johnson Jr, W.H, Czerwinski, R.M, Whitman, C.P, Hackert, M.L. | Deposit date: | 1998-08-12 | Release date: | 1999-06-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of macrophage migration inhibitory factor complexed with (E)-2-fluoro-p-hydroxycinnamate at 1.8 A resolution: implications for enzymatic catalysis and inhibition. Biochemistry, 38, 1999
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1S6L
| Solution structure of MerB, the Organomercurial Lyase involved in the bacterial mercury resistance system | Descriptor: | Alkylmercury lyase | Authors: | Di Lello, P, Benison, G.C, Valafar, H, Pitts, K.E, Summers, A.O, Legault, P, Omichinski, J.G. | Deposit date: | 2004-01-25 | Release date: | 2005-04-19 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR structural studies reveal a novel protein fold for MerB, the organomercurial lyase involved in the bacterial mercury resistance system. Biochemistry, 43, 2004
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4O6S
| 1.32A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (H83A mutant, Zinc Bound) | Descriptor: | 1,2-ETHANEDIOL, HasAp, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. | Deposit date: | 2013-12-23 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa. Biochemistry, 53, 2014
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4JDN
| Secreted Chlamydial Protein PGP3, C-terminal Domain | Descriptor: | GLYCEROL, POTASSIUM ION, Virulence plasmid protein pGP3-D | Authors: | Galaleldeen, A, Taylor, A.B, Chen, D, Holloway, S.P, Zhong, G, Hart, P.J. | Deposit date: | 2013-02-25 | Release date: | 2013-06-05 | Last modified: | 2013-10-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the Chlamydia trachomatis immunodominant antigen Pgp3. J.Biol.Chem., 288, 2013
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3PWB
| Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-08 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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4OR2
| Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ... | Authors: | Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2014-02-10 | Release date: | 2014-03-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator Science, 344, 2014
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4FJP
| Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2012-06-12 | Release date: | 2012-06-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Naproxen at 1.68 A Resolution To be Published
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3D5O
| Structural recognition and functional activation of FcrR by innate pentraxins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low affinity immunoglobulin gamma Fc region receptor II-a, ... | Authors: | Lu, J, Marnell, L.L, Marjon, K.D, Mold, C, Du Clos, T.W, Sun, P.D. | Deposit date: | 2008-05-16 | Release date: | 2008-11-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural recognition and functional activation of FcgammaR by innate pentraxins. Nature, 456, 2008
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1XCI
| Mispair Aligned N3T-Butyl-N3T Interstrand Crosslink | Descriptor: | 5'-D(*CP*GP*AP*AP*AP*(TTM)P*TP*TP*TP*CP*G)-3' | Authors: | da Silva, M.W, Bierbryer, R.G, Wilds, C.J, Noronha, A.M, Colvin, O.M, Miller, P.S, Gamcsik, M.P. | Deposit date: | 2004-09-02 | Release date: | 2005-08-16 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Intrastrand base-stacking buttresses widening of major groove in interstrand cross-linked B-DNA. Bioorg.Med.Chem., 13, 2005
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2AME
| TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14Q | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-18 | Release date: | 1999-04-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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4OYR
| Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | Deposit date: | 2014-02-13 | Release date: | 2014-04-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2995 Å) | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. Acs Chem.Biol., 9, 2014
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4OPJ
| Bh-RNaseH:tcdA-DNA complex | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*(TCY)P*TP*TP*CP*GP*CP*G)-3', GLYCEROL, Ribonuclease H | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2014-02-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | Generating Crystallographic Models of DNA Dodecamers from Structures of RNase H:DNA Complexes. Methods Mol.Biol., 1320
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4BD8
| Bax domain swapped dimer induced by BimBH3 with CHAPS | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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1WL1
| Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima H74A mutant | Descriptor: | octoprenyl-diphosphate synthase | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | Deposit date: | 2004-06-18 | Release date: | 2005-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase To be Published
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1MVY
| Amylosucrase mutant E328Q co-crystallized with maltoheptaose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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4JY5
| Crystal structure of human Fab PGT122, a broadly reactive and potent HIV-1 neutralizing antibody | Descriptor: | GLYCEROL, PGT122 heavy chain, PGT122 light chain | Authors: | Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A. | Deposit date: | 2013-03-29 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Broadly neutralizing antibody PGT121 allosterically modulates CD4 binding via recognition of the HIV-1 gp120 V3 base and multiple surrounding glycans. Plos Pathog., 9, 2013
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2LFX
| Structure of the duplex when (5'S)-8,5'-cyclo-2'-deoxyguanosine is placed opposite dT | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(2LF)P*TP*GP*TP*TP*TP*GP*T)-3') | Authors: | Huang, H, Das, R.S, Basu, A, Stone, M.P. | Deposit date: | 2011-07-18 | Release date: | 2012-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structures of (5'S)-8,5'-Cyclo-2'-deoxyguanosine Mismatched with dA or dT. Chem.Res.Toxicol., 25, 2012
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1MW1
| Amylosucrase soaked with 14mM sucrose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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2LG0
| structure of the duplex containing (5'S)-8,5'-cyclo-2'-deoxyadenosine | Descriptor: | DNA (5'-D(*AP*CP*AP*AP*AP*CP*AP*TP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*(02I)P*TP*GP*TP*TP*TP*GP*T)-3') | Authors: | Huang, H, Das, R.S, Basu, A, Stone, M.P. | Deposit date: | 2011-07-18 | Release date: | 2012-06-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of (5'S)-8,5'-cyclo-2'-deoxyguanosine in DNA. J.Am.Chem.Soc., 133, 2011
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4J89
| Different photochemical events of a genetically encoded aryl azide define and modulate GFP fluorescence | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein, ... | Authors: | Reddington, S.C, Jones, D.D, Rizkallah, P.J, Tippmann, E.M. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Different Photochemical Events of a Genetically Encoded Phenyl Azide Define and Modulate GFP Fluorescence. Angew.Chem.Int.Ed.Engl., 52, 2013
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3H1X
| Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site | Descriptor: | INDOMETHACIN, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Singh, N, Prem Kumar, R, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2009-04-14 | Release date: | 2009-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand-binding site J.Mol.Recognit., 22, 2009
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4AWI
| Human Jnk1alpha kinase with 4-phenyl-7-azaindole IKK2 inhibitor. | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 8, N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide, SULFATE ION | Authors: | Chung, C, Vicentini, G, Liddle, J, Bamborough, P. | Deposit date: | 2012-06-03 | Release date: | 2013-05-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | 4-Phenyl-7-Azaindoles as Potent, Selective and Bioavailable Ikk2 Inhibitors Demonstrating Good in Vivo Efficacy. Bioorg.Med.Chem.Lett., 22, 2012
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