3DCU
 
 | | FXR with SRC1 and GSK8062 | | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
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3DJK
 | | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0255A | | Descriptor: | (5R)-1,3-dioxepan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.F, Weber, I.T. | | Deposit date: | 2008-06-23 | | Release date: | 2008-09-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies
J.Med.Chem., 51, 2008
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6P1B
 | | Transcription antitermination factor Q21 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Q protein | | Authors: | Yin, Z, Ebright, R.H. | | Deposit date: | 2019-05-19 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.942 Å) | | Cite: | Structural basis of Q-dependent antitermination.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4DWL
 | | Avd molecule from Bordetella bacteriophage DGR | | Descriptor: | Bbp7, PHOSPHATE ION | | Authors: | Ghosh, P, Al-Ayyoubi, M. | | Deposit date: | 2012-02-24 | | Release date: | 2013-02-27 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structure of the essential diversity-generating retroelement protein bAvd and its functionally important interaction with reverse transcriptase.
Structure, 21, 2013
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1DDL
 | | DESMODIUM YELLOW MOTTLE TYMOVIRUS | | Descriptor: | DESMODIUM YELLOW MOTTLE VIRUS, RNA (5'-R(P*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Larson, S.B, Day, J, Canady, M.A, Greenwood, A, McPherson, A. | | Deposit date: | 1999-11-10 | | Release date: | 2000-10-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Refined structure of desmodium yellow mottle tymovirus at 2.7 A resolution.
J.Mol.Biol., 301, 2000
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4DZR
 | | The crystal structure of protein-(glutamine-N5) methyltransferase (release factor-specific) from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 | | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | | Authors: | Tan, K, Chhor, G, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-03-01 | | Release date: | 2012-03-14 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | The crystal structure of protein-(glutamine-N5) methyltransferase (release factor-specific) from Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446
To be Published
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3T0M
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4DDH
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3SQJ
 | | Recombinant human serum albumin from transgenic plant | | Descriptor: | MYRISTIC ACID, Serum albumin | | Authors: | He, Y, Yang, D. | | Deposit date: | 2011-07-05 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Large-scale production of functional human serum albumin from transgenic rice seeds.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3SOU
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4DK7
 | | Crystal structure of LXR ligand binding domain in complex with full agonist 1 | | Descriptor: | ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ... | | Authors: | Piper, D.E, Xu, H. | | Deposit date: | 2012-02-03 | | Release date: | 2012-03-21 | | Last modified: | 2012-05-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
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3SRD
 | | Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate. | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2011-07-07 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Allosetric regulation of M2 pyruvate kinase.
To be Published
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3T6J
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3T6R
 | | Structure of UHRF1 in complex with unmodified H3 N-terminal tail | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Histone H3.1t N-terminal peptide, MAGNESIUM ION, ... | | Authors: | Xie, S, Jakoncic, J, Qian, C.M. | | Deposit date: | 2011-07-29 | | Release date: | 2011-11-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail
J.Mol.Biol., 415, 2012
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4DHP
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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3SOW
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3SP5
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer Cotylenol | | Descriptor: | 14-3-3 protein sigma, Cotylenol, MAGNESIUM ION, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-07-01 | | Release date: | 2016-05-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem.Biol., 20, 2013
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3SPR
 | | Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Fusicoccin A-THF, ... | | Authors: | Anders, C, Schumacher, B, Ottmann, C. | | Deposit date: | 2011-07-03 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface.
Chem. Biol., 20, 2013
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3SS7
 | | Crystal structure of holo D-serine dehydratase from Escherichia coli at 1.55 A resolution | | Descriptor: | D-serine dehydratase, GLYCEROL, POTASSIUM ION, ... | | Authors: | Urusova, D.V, Isupov, M.N, Antonyuk, S.V, Kachalova, G.S, Vagin, A.A, Lebedev, A.A, Bourenkov, G.P, Dauter, Z, Bartunik, H.D, Melik-Adamyan, W.R, Mueller, T.D, Schnackerz, K.D. | | Deposit date: | 2011-07-07 | | Release date: | 2012-01-18 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of D-serine dehydratase from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2011
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4DZ1
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4E2T
 | | Crystal Structures of RadA intein from Pyrococcus horikoshii | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Pho radA intein | | Authors: | Oeemig, J.S, Zhou, D, Kajander, T, Wlodawer, A, Iwai, H. | | Deposit date: | 2012-03-09 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NMR and Crystal Structures of the Pyrococcus horikoshii RadA Intein Guide a Strategy for Engineering a Highly Efficient and Promiscuous Intein.
J.Mol.Biol., 421, 2012
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4E05
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4E3Y
 | | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Lashkov, A.A, Balaev, V.V, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2012-03-11 | | Release date: | 2013-05-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | X-ray structure of the Serratia marcescens endonuclease at 0.95 A resolution
To be Published
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4E06
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.196 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3SRK
 | | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase | | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ... | | Authors: | Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2011-07-07 | | Release date: | 2012-07-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
To be Published
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