4PP0
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![BU of 4pp0 by Molmil](/molmil-images/mine/4pp0) | Structure of the PBP NocT-M117N in complex with pyronopaline | Descriptor: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2014-02-26 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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2GWX
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![BU of 2gwx by Molmil](/molmil-images/mine/2gwx) | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | PROTEIN (PPAR-DELTA) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-03-11 | Release date: | 2000-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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5NCC
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![BU of 5ncc by Molmil](/molmil-images/mine/5ncc) | Structure of Fatty acid Photodecarboxylase in complex with FAD and palmitic acid | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, PALMITIC ACID | Authors: | Arnoux, P, Sorigue, D, Beisson, F, Pignol, D. | Deposit date: | 2017-03-03 | Release date: | 2017-08-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | An algal photoenzyme converts fatty acids to hydrocarbons. Science, 357, 2017
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7K6M
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![BU of 7k6m by Molmil](/molmil-images/mine/7k6m) | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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3BRJ
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![BU of 3brj by Molmil](/molmil-images/mine/3brj) | Crystal structure of mannitol operon repressor (MtlR) from Vibrio parahaemolyticus RIMD 2210633 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mannitol operon repressor | Authors: | Tan, K, Zhou, M, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-12-21 | Release date: | 2008-01-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | The mannitol operon repressor MtlR belongs to a new class of transcription regulators in bacteria. J.Biol.Chem., 284, 2009
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6FIB
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![BU of 6fib by Molmil](/molmil-images/mine/6fib) | Structure of human 4-1BB ligand | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | Deposit date: | 2018-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy. Sci Transl Med, 11, 2019
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8T7J
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4OFQ
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![BU of 4ofq by Molmil](/molmil-images/mine/4ofq) | Structure of the C-terminal domain of the Streptococcus pyogenes antigen I/II-family protein AspA | Descriptor: | CALCIUM ION, Putative cell surface protein | Authors: | Hall, M, Nylander, A, Jenkinson, H.F, Persson, K. | Deposit date: | 2014-01-15 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the C-terminal domain of AspA (antigen I/II-family) protein from Streptococcus pyogenes. FEBS Open Bio, 4, 2014
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2WCX
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![BU of 2wcx by Molmil](/molmil-images/mine/2wcx) | |
5TR4
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![BU of 5tr4 by Molmil](/molmil-images/mine/5tr4) | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | Authors: | Sintchak, M.D. | Deposit date: | 2016-10-25 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243) To be published
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6FX0
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![BU of 6fx0 by Molmil](/molmil-images/mine/6fx0) | |
2D6F
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![BU of 2d6f by Molmil](/molmil-images/mine/2d6f) | |
3FT5
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![BU of 3ft5 by Molmil](/molmil-images/mine/3ft5) | Structure of HSP90 bound with a novel fragment | Descriptor: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-05-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based Identification of Hsp90 Inhibitors. Chemmedchem, 4, 2009
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3FT8
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![BU of 3ft8 by Molmil](/molmil-images/mine/3ft8) | Structure of HSP90 bound with a noval fragment. | Descriptor: | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha | Authors: | Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B. | Deposit date: | 2009-01-12 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-based identification of Hsp90 inhibitors. Chemmedchem, 4, 2009
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4QL8
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![BU of 4ql8 by Molmil](/molmil-images/mine/4ql8) | Crystal structure of Androgen Receptor in complex with the ligand | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | Deposit date: | 2014-06-11 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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5JSG
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![BU of 5jsg by Molmil](/molmil-images/mine/5jsg) | Crystal structure of Spindlin1 bound to compound EML405 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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5UWD
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![BU of 5uwd by Molmil](/molmil-images/mine/5uwd) | |
3SRI
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5JSJ
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![BU of 5jsj by Molmil](/molmil-images/mine/5jsj) | Crystal structure of Spindlin1 bound to compound EML631 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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6CNW
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![BU of 6cnw by Molmil](/molmil-images/mine/6cnw) | STRUCTURE OF HUMANIZED SINGLE DOMAIN ANTIBODY SD84 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, humanized antibody SD84h | Authors: | Luo, J, Obmolova, O. | Deposit date: | 2018-03-09 | Release date: | 2018-11-14 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin. Science, 362, 2018
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6CNV
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![BU of 6cnv by Molmil](/molmil-images/mine/6cnv) | INFLUENZA B/BRISBANE HEMAGGLUTININ FAB CR9115 SD84H COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR9114 Fab heavy chain, ... | Authors: | Luo, J, Obmolova, G. | Deposit date: | 2018-03-09 | Release date: | 2018-11-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin. Science, 362, 2018
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2PN5
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![BU of 2pn5 by Molmil](/molmil-images/mine/2pn5) | Crystal Structure of TEP1r | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | Authors: | Baxter, R.H.G. | Deposit date: | 2007-04-23 | Release date: | 2007-07-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Structural basis for conserved complement factor-like function in the antimalarial protein TEP1 Proc.Natl.Acad.Sci.Usa, 104, 2007
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6CK8
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![BU of 6ck8 by Molmil](/molmil-images/mine/6ck8) | |
1J7G
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![BU of 1j7g by Molmil](/molmil-images/mine/1j7g) | |
3SRJ
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![BU of 3srj by Molmil](/molmil-images/mine/3srj) | |