4CFE
 
 | | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | | Deposit date: | 2013-11-14 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.023 Å) | | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators.
Nat.Commun., 4, 2013
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4LUM
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4JLR
 | | Crystal structure of a designed Respiratory Syncytial Virus Immunogen in complex with Motavizumab | | Descriptor: | Motavizumab Fab heavy chain, Motavizumab Fab light chain, PENTAETHYLENE GLYCOL, ... | | Authors: | Rupert, P.B, Correia, B, Schief, W, Strong, R.K. | | Deposit date: | 2013-03-12 | | Release date: | 2014-02-05 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
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4LSV
 | | Crystal structure of broadly and potently neutralizing antibody 3BNC117 in complex with HIV-1 clade C C1086 gp120 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEAVY CHAIN OF ANTIBODY 3BNC117, IMIDAZOLE, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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6D33
 | | Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyribose-phosphate aldolase, GLYCEROL | | Authors: | Stogios, P.J, Skarina, T, Kim, T, Yim, V, Yakunin, A, Savchenko, A. | | Deposit date: | 2018-04-14 | | Release date: | 2019-10-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Rational engineering of 2-deoxyribose-5-phosphate aldolases for the biosynthesis of (R)-1,3-butanediol.
J.Biol.Chem., 295, 2020
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3E9W
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3NZL
 | | Crystal Structure of the N-terminal domain of DNA-binding protein SATB1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4435B | | Descriptor: | DNA-binding protein SATB1 | | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Kuzin, A.P, Patel, P, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-07-16 | | Release date: | 2010-09-22 | | Last modified: | 2019-07-17 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | Crystal Structure of the N-terminal domain of DNA-binding protein SATB1 from Homo sapiens, Northeast Structural Genomics Consortium Target HR4435B (CASP Target)
To be Published
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4JTP
 | | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Ascorbic acid at 1.85 Angstrom resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBIC ACID, rRNA N-glycosidase | | Authors: | Pandey, S, Bhushan, A, Singh, A, Tyagi, T.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-03-24 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Ascorbic acid at 1.85 Angstrom resolution
TO BE PUBLISHED
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1FWJ
 | | KLEBSIELLA AEROGENES UREASE, NATIVE | | Descriptor: | NICKEL (II) ION, UREASE | | Authors: | Pearson, M.A, Karplus, P.A. | | Deposit date: | 1997-04-23 | | Release date: | 1997-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of Cys319 variants and acetohydroxamate-inhibited Klebsiella aerogenes urease.
Biochemistry, 36, 1997
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7YEZ
 | | In situ structure of polymerase complex of mammalian reovirus in the reloaded state | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-06 | | Release date: | 2023-03-29 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3KZL
 | | Crystal structure of BA2930 mutant (H183G) in complex with AcCoA | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, ... | | Authors: | Klimecka, M.M, Chruszcz, M, Porebski, P.J, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-12-08 | | Release date: | 2009-12-22 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
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7XR9
 | | Crystal structure of DgpA with glucose | | Descriptor: | DgpA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, beta-D-glucopyranose | | Authors: | Ma, W, He, P. | | Deposit date: | 2022-05-09 | | Release date: | 2023-04-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural mechanism of a dual-functional enzyme DgpA/B/C as both a C -glycoside cleaving enzyme and an O - to C -glycoside isomerase.
Acta Pharm Sin B, 13, 2023
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4BTI
 | | factor Xa in complex with the dual thrombin-FXa inhibitor 58. | | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | | Deposit date: | 2013-06-18 | | Release date: | 2013-12-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
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4BTT
 | | factor Xa in complex with the dual thrombin-FXa inhibitor 31. | | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | | Deposit date: | 2013-06-19 | | Release date: | 2013-12-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
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3L08
 | | Structure of Pi3K gamma with a potent inhibitor: GSK2126458 | | Descriptor: | 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Elkins, P.A, Marrero, E.M. | | Deposit date: | 2009-12-09 | | Release date: | 2010-06-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
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4C6S
 | | Crystal structure of the TIR domain from the Arabidopsis Thaliana disease resistance protein RRS1 | | Descriptor: | GLYCEROL, PROBABLE WRKY TRANSCRIPTION FACTOR 52, SODIUM ION, ... | | Authors: | Wan, L, Williams, S.J, Sohn, K.H, Bernoux, M, Ma, Y, Segonzac, C, Ve, T, Sarris, P, Ericsson, D.J, Saucet, S.B, Zhang, X, Parker, J, Dodds, P.N, Jones, J.D.G, Kobe, B. | | Deposit date: | 2013-09-19 | | Release date: | 2014-05-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Structural Basis for Assembly and Function of a Heterodimeric Plant Immune Receptor.
Science, 344, 2014
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7YF0
 | | In situ structure of polymerase complex of mammalian reovirus in the core | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-07 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7YEV
 | | In situ structure of polymerase complex of mammalian reovirus in the pre-elongation state | | Descriptor: | Lambda-2 protein, Mu-2 protein, RNA helicase, ... | | Authors: | Bao, K.Y, Zhang, X.L, Li, D.Y, Zhu, P. | | Deposit date: | 2022-07-06 | | Release date: | 2023-03-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | In situ structures of polymerase complex of mammalian reovirus illuminate RdRp activation and transcription regulation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3O9L
 | | Design and optimisation of new piperidines as renin inhibitors | | Descriptor: | (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A. | | Deposit date: | 2010-08-04 | | Release date: | 2011-03-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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2GUB
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3KTA
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3NP6
 | | The crystal structure of Berberine bound to DNA d(CGTACG) | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', BERBERINE, CALCIUM ION | | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | | Deposit date: | 2010-06-28 | | Release date: | 2011-05-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
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4TPK
 | | Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Coquelle, N, Brus, B, Colletier, J.P, Gobec, S. | | Deposit date: | 2014-06-07 | | Release date: | 2014-10-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
J.Med.Chem., 57, 2014
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4TKG
 | | Crystal Structure of human Tankyrase 2 in complex with AZD2281. | | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, GLYCEROL, Tankyrase-2, ... | | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | Deposit date: | 2014-05-26 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4TPU
 | | CRYSTAL STRUCTURE OF FERREDOXIN-DEPENDENT DISULFIDE REDUCTASE FROM METHANOSARCINA ACETIVORANS | | Descriptor: | BROMIDE ION, FE (III) ION, IRON/SULFUR CLUSTER, ... | | Authors: | Kumar, A.K, Yennawar, H.P, Yennawar, N.H, Ferry, J.G. | | Deposit date: | 2014-06-09 | | Release date: | 2015-05-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.355 Å) | | Cite: | Structural and Biochemical Characterization of a Ferredoxin:Thioredoxin Reductase-like Enzyme from Methanosarcina acetivorans.
Biochemistry, 54, 2015
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