4CFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cfe by Molmil](/molmil-images/mine/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
|
|
4LUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lum by Molmil](/molmil-images/mine/4lum) | |
4JLR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jlr by Molmil](/molmil-images/mine/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
|
|
4LSV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lsv by Molmil](/molmil-images/mine/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
|
|
6D33
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d33 by Molmil](/molmil-images/mine/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
|
|
3E9W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e9w by Molmil](/molmil-images/mine/3e9w) | |
3NZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nzl by Molmil](/molmil-images/mine/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
|
|
4JTP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jtp by Molmil](/molmil-images/mine/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
|
|
1FWJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fwj by Molmil](/molmil-images/mine/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
|
|
7YEZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yez by Molmil](/molmil-images/mine/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
|
|
3KZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kzl by Molmil](/molmil-images/mine/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
|
|
7XR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xr9 by Molmil](/molmil-images/mine/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
|
|
4BTI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bti by Molmil](/molmil-images/mine/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
|
|
4BTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4btt by Molmil](/molmil-images/mine/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
|
|
3L08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3l08 by Molmil](/molmil-images/mine/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
|
|
4C6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4c6s by Molmil](/molmil-images/mine/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
|
|
7YF0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yf0 by Molmil](/molmil-images/mine/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
|
|
7YEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yev by Molmil](/molmil-images/mine/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
|
|
3O9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o9l by Molmil](/molmil-images/mine/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
|
|
2GUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gub by Molmil](/molmil-images/mine/2gub) | |
3KTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kta by Molmil](/molmil-images/mine/3kta) | |
3NP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3np6 by Molmil](/molmil-images/mine/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
|
|
4TPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tpk by Molmil](/molmil-images/mine/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
|
|
4TKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkg by Molmil](/molmil-images/mine/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
|
|
4TPU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tpu by Molmil](/molmil-images/mine/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
|
|