2RBE
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![BU of 2rbe by Molmil](/molmil-images/mine/2rbe) | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors | Descriptor: | (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Jordan, S.R, Li, V. | Deposit date: | 2007-09-18 | Release date: | 2008-01-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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3IO7
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![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-13 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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3IOJ
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![BU of 3ioj by Molmil](/molmil-images/mine/3ioj) | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with UDP | Descriptor: | GLYCEROL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K. | Deposit date: | 2009-08-14 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Structural and mechanistic basis for a new mode of glycosyltransferase inhibition. Nat.Chem.Biol., 6, 2010
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3IO4
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![BU of 3io4 by Molmil](/molmil-images/mine/3io4) | Huntingtin amino-terminal region with 17 Gln residues - Crystal C90 | Descriptor: | CALCIUM ION, Maltose-binding periplasmic protein,Huntingtin fusion protein, ZINC ION | Authors: | Kim, M.W, Chelliah, Y, Kim, S.W, Otwinowski, Z, Bezprozvanny, I. | Deposit date: | 2009-08-13 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Secondary structure of Huntingtin amino-terminal region. Structure, 17, 2009
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3IRT
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![BU of 3irt by Molmil](/molmil-images/mine/3irt) | |
3ISC
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![BU of 3isc by Molmil](/molmil-images/mine/3isc) | Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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2RMV
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![BU of 2rmv by Molmil](/molmil-images/mine/2rmv) | |
2RMZ
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![BU of 2rmz by Molmil](/molmil-images/mine/2rmz) | |
3ISW
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![BU of 3isw by Molmil](/molmil-images/mine/3isw) | Crystal structure of filamin-A immunoglobulin-like repeat 21 bound to an N-terminal peptide of CFTR | Descriptor: | Cystic fibrosis transmembrane conductance regulator, Filamin-A | Authors: | Xu, Z, Page, R, Qin, J, Ithychanda, S.S, Liu, J.M, Misra, S. | Deposit date: | 2009-08-27 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Biochemical basis of the interaction between cystic fibrosis transmembrane conductance regulator and immunoglobulin-like repeats of filamin. J.Biol.Chem., 285, 2010
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2R56
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![BU of 2r56 by Molmil](/molmil-images/mine/2r56) | Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen | Descriptor: | Beta-lactoglobulin, DODECYL-BETA-D-MALTOSIDE, IgE Fab Fragment, ... | Authors: | Niemi, M, Kallio, J.M, Hakulinen, N, Rouvinen, J. | Deposit date: | 2007-09-03 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular interactions between a recombinant IgE antibody and the beta-lactoglobulin allergen. Structure, 15, 2007
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3DE3
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![BU of 3de3 by Molmil](/molmil-images/mine/3de3) | |
3IMS
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![BU of 3ims by Molmil](/molmil-images/mine/3ims) | Transthyretin in complex with 2,6-dibromo-4-(2,6-dichlorophenethyl)phenol | Descriptor: | 2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol, Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2009-08-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A substructure combination strategy to create potent and selective transthyretin kinetic stabilizers that prevent amyloidogenesis and cytotoxicity. J.Am.Chem.Soc., 132, 2010
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3IN5
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![BU of 3in5 by Molmil](/molmil-images/mine/3in5) | Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*CP*TP*AP*(8OG)P*GP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*G*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*(DOC))-3'), ... | Authors: | Silverstein, T.D, Vasquez-Del Carpio, R, Aggarwal, A.K. | Deposit date: | 2009-08-11 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion PLOS ONE, 4, 2009
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3IOI
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![BU of 3ioi by Molmil](/molmil-images/mine/3ioi) | Crystal structure of the Fucosylgalactoside alpha N-acetylgalactosaminyltransferase (GTA, cisAB mutant L266G, G268A) in complex with a novel UDP-Gal derived inhibitor (1GW) | Descriptor: | 5-(2-FORMYLTHIEN-5-YL)-URIDINE-5'-DIPHOSPHATE-ALPHA-D-GALACTOSE, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Pesnot, T, Jorgensen, R, Palcic, M.M, Wagner, G.K. | Deposit date: | 2009-08-14 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and mechanistic basis for a new mode of glycosyltransferase inhibition. Nat.Chem.Biol., 6, 2010
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3IRQ
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![BU of 3irq by Molmil](/molmil-images/mine/3irq) | Crystal structure of a Z-Z junction | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Athanasiadis, A, de Rosa, M. | Deposit date: | 2009-08-24 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a junction between two Z-DNA helices. Proc.Natl.Acad.Sci.USA, 107, 2010
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3ISD
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![BU of 3isd by Molmil](/molmil-images/mine/3isd) | Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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2RFE
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![BU of 2rfe by Molmil](/molmil-images/mine/2rfe) | Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide | Descriptor: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor | Authors: | Zhang, X, Pickin, K.A, Bose, R, Jura, N, Cole, P.A, Kuriyan, J. | Deposit date: | 2007-09-28 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibition of the EGF receptor by binding of MIG6 to an activating kinase domain interface. Nature, 450, 2007
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2RK4
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![BU of 2rk4 by Molmil](/molmil-images/mine/2rk4) | Structure of M26I DJ-1 | Descriptor: | Protein DJ-1 | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | Deposit date: | 2007-10-16 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1. Biochemistry, 47, 2008
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3I7N
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![BU of 3i7n by Molmil](/molmil-images/mine/3i7n) | Crystal Structure of DDB1 in Complex with the H-Box Motif of WDTC1 | Descriptor: | DNA damage-binding protein 1, WD and tetratricopeptide repeats protein 1 | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | Deposit date: | 2009-07-08 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery. Nat.Struct.Mol.Biol., 17, 2010
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3IPS
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![BU of 3ips by Molmil](/molmil-images/mine/3ips) | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | Deposit date: | 2009-08-18 | Release date: | 2010-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling. J.Mol.Biol., 399, 2010
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2R6Y
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![BU of 2r6y by Molmil](/molmil-images/mine/2r6y) | Estrogen receptor alpha ligand-binding domain in complex with a SERM | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone | Authors: | Wang, Y. | Deposit date: | 2007-09-06 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3IQS
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![BU of 3iqs by Molmil](/molmil-images/mine/3iqs) | Crystal structure of the anti-viral APOBEC3G catalytic domain | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Holden, L.G, Prochnow, C, Chang, Y.P, Bransteitter, R, Chelico, L, Sen, U, Stevens, R.C, Goodman, R.F, Chen, X.S. | Deposit date: | 2009-08-20 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the anti-viral APOBEC3G catalytic domain and functional implications. Nature, 456, 2008
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3I7H
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![BU of 3i7h by Molmil](/molmil-images/mine/3i7h) | Crystal Structure of DDB1 in Complex with the H-Box Motif of HBX | Descriptor: | DNA damage-binding protein 1, X protein | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | Deposit date: | 2009-07-08 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery. Nat.Struct.Mol.Biol., 17, 2010
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3I80
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![BU of 3i80 by Molmil](/molmil-images/mine/3i80) | Protein Tyrosine Phosphatase 1B - Transition state analog for the second catalytic step | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ... | Authors: | Brandao, T.A.S, Johnson, S.J, Hengge, A.C. | Deposit date: | 2009-07-09 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into the reaction of protein-tyrosine phosphatase 1B: crystal structures for transition state analogs of both catalytic steps. J.Biol.Chem., 285, 2010
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3I9M
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![BU of 3i9m by Molmil](/molmil-images/mine/3i9m) | Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR | Descriptor: | ADP-ribosyl cyclase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Liu, Q, Graeff, R, Kriksunov, I.A, Jiang, H, Zhang, B, Oppenheimer, N, Lin, H, Potter, B.V.L, Lee, H.C, Hao, Q. | Deposit date: | 2009-07-12 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for enzymatic evolution from a dedicated ADP-ribosyl cyclase to a multifunctional NAD hydrolase J.Biol.Chem., 284, 2009
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