3PKJ
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![BU of 3pkj by Molmil](/molmil-images/mine/3pkj) | Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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4JAI
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![BU of 4jai by Molmil](/molmil-images/mine/4jai) | Crystal Structure of Aurora Kinase A in complex with N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Descriptor: | Aurora kinase A, N-{4-[(6-oxo-5,6-dihydrobenzo[c][1,8]naphthyridin-1-yl)amino]phenyl}benzamide | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6JUE
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![BU of 6jue by Molmil](/molmil-images/mine/6jue) | The complex of PDZ and PBM | Descriptor: | Partitioning defective 3 homolog, SULFATE ION, THR-ILE-ILE-THR-LEU | Authors: | Liu, Z. | Deposit date: | 2019-04-13 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | Par complex cluster formation mediated by phase separation. Nat Commun, 11, 2020
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7WGL
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![BU of 7wgl by Molmil](/molmil-images/mine/7wgl) | X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization | Descriptor: | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | Authors: | Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I. | Deposit date: | 2021-12-28 | Release date: | 2022-05-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.091 Å) | Cite: | Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci, 23, 2022
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4J8W
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3PKI
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![BU of 3pki by Molmil](/molmil-images/mine/3pki) | Human SIRT6 crystal structure in complex with ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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4J8V
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4JAJ
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![BU of 4jaj by Molmil](/molmil-images/mine/4jaj) | Crystal Structure of Aurora Kinase A in complex with BENZO[C][1,8]NAPHTHYRIDIN-6(5H)-ONE | Descriptor: | Aurora kinase A, benzo[c][1,8]naphthyridin-6(5H)-one | Authors: | Jiang, X, Josephson, K, Huck, B, Goutopoulos, A, Karra, S. | Deposit date: | 2013-02-18 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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2GMV
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![BU of 2gmv by Molmil](/molmil-images/mine/2gmv) | PEPCK complex with a GTP-competitive inhibitor | Descriptor: | MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ... | Authors: | Dunten, P. | Deposit date: | 2006-04-07 | Release date: | 2007-05-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase. Bioorg.Med.Chem.Lett., 17, 2007
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2N9B
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6INL
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![BU of 6inl by Molmil](/molmil-images/mine/6inl) | Crystal structure of CDK2 IN complex with Inhibitor CVT-313 | Descriptor: | 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), Cyclin-dependent kinase 2 | Authors: | Talapati, S.R, Krishnamurthy, N.R. | Deposit date: | 2018-10-25 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of cyclin-dependent kinase 2 (CDK2) in complex with the specific and potent inhibitor CVT-313. Acta Crystallogr.,Sect.F, 76, 2020
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3FM0
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![BU of 3fm0 by Molmil](/molmil-images/mine/3fm0) | Crystal structure of WD40 protein Ciao1 | Descriptor: | Protein CIAO1, SULFATE ION | Authors: | Dong, A, Ravichandran, M, Crombet, L, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-12-19 | Release date: | 2009-02-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and function of WD40 domain proteins. Protein Cell, 2, 2011
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4FL6
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![BU of 4fl6 by Molmil](/molmil-images/mine/4fl6) | Crystal structure of the complex of the 3-MBT repeat domain of L3MBTL3 and UNC1215 | Descriptor: | Lethal(3)malignant brain tumor-like protein 3, UNKNOWN ATOM OR ION, [2-(phenylamino)benzene-1,4-diyl]bis{[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone} | Authors: | Zhong, N, Tempel, W, Ravichandran, M, Dong, A, Ingerman, L.A, Graslund, S, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-14 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a chemical probe for the L3MBTL3 methyllysine reader domain. Nat. Chem. Biol., 9, 2013
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2XJ9
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![BU of 2xj9 by Molmil](/molmil-images/mine/2xj9) | Dimer Structure of the bacterial cell division regulator MipZ | Descriptor: | MAGNESIUM ION, MIPZ, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Michie, K.A, Lowe, J. | Deposit date: | 2010-07-02 | Release date: | 2011-07-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Localized Dimerization and Nucleoid Binding Drive Gradient Formation by the Bacterial Cell Division Inhibitor Mipz. Mol.Cell, 46, 2012
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4QGI
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![BU of 4qgi by Molmil](/molmil-images/mine/4qgi) | X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, Protease | Authors: | Mahon, B.P, McKenna, R, Goldfarb, N. | Deposit date: | 2014-05-22 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency. Biochemistry, 54, 2015
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2XJ4
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4R0I
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![BU of 4r0i by Molmil](/molmil-images/mine/4r0i) | CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR | Descriptor: | 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... | Authors: | Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. | Deposit date: | 2014-07-31 | Release date: | 2015-02-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
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2OOW
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![BU of 2oow by Molmil](/molmil-images/mine/2oow) | MIF Bound to a Fluorinated OXIM Derivative | Descriptor: | 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-26 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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2OOZ
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![BU of 2ooz by Molmil](/molmil-images/mine/2ooz) | Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group) | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-26 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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2MY7
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2OOH
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![BU of 2ooh by Molmil](/molmil-images/mine/2ooh) | Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11 | Descriptor: | 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Crichlow, G.V, Al-Abed, Y, Lolis, E. | Deposit date: | 2007-01-25 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor. J.Biol.Chem., 282, 2007
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1PGL
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![BU of 1pgl by Molmil](/molmil-images/mine/1pgl) | BEAN POD MOTTLE VIRUS (BPMV), MIDDLE COMPONENT | Descriptor: | 5'-R(*AP*GP*UP*CP*UP*C)-3', BEAN POD MOTTLE VIRUS LARGE (L) SUBUNIT, BEAN POD MOTTLE VIRUS SMALL (S) SUBUNIT | Authors: | Lin, T, Cavarelli, J, Johnson, J.E. | Deposit date: | 2003-05-28 | Release date: | 2003-11-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus. Virology, 314, 2003
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1PGW
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![BU of 1pgw by Molmil](/molmil-images/mine/1pgw) | BEAN POD MOTTLE VIRUS (BPMV), TOP COMPONENT | Descriptor: | BEAN POD MOTTLE VIRUS LARGE (L) SUBUNIT, BEAN POD MOTTLE VIRUS SMALL (S) SUBUNIT | Authors: | Lin, T, Cavarelli, J, Johnson, J.E. | Deposit date: | 2003-05-28 | Release date: | 2003-11-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus. Virology, 314, 2003
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3V3C
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4KQ2
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![BU of 4kq2 by Molmil](/molmil-images/mine/4kq2) | Glucose1,2cyclic phosphate bound activated state of Yeast Glycogen Synthase | Descriptor: | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide, 6-O-phosphono-alpha-D-glucopyranose, BARIUM ION, ... | Authors: | Chikwana, V.M, Hurley, T.D. | Deposit date: | 2013-05-14 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for 2'-phosphate incorporation into glycogen by glycogen synthase. Proc.Natl.Acad.Sci.USA, 110, 2013
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