7Q7L
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7Q7I
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7Q7W
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6Q5S
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![BU of 6q5s by Molmil](/molmil-images/mine/6q5s) | Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet | Descriptor: | apCC-Tet | Authors: | Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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4WVL
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![BU of 4wvl by Molmil](/molmil-images/mine/4wvl) | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Xu, X, Dhe-Paganon, S, Blacklow, S. | Deposit date: | 2014-11-06 | Release date: | 2014-12-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement. Acs Chem.Biol., 10, 2015
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4WKS
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![BU of 4wks by Molmil](/molmil-images/mine/4wks) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, ethylboronic acid | Authors: | Wu, R, Clevenger, D.K, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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8R3F
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![BU of 8r3f by Molmil](/molmil-images/mine/8r3f) | C-terminal Rel-homology Domain of NFAT1 | Descriptor: | (4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine, Nuclear factor of activated T-cells, cytoplasmic 2 | Authors: | Zak, K.M, Boettcher, J. | Deposit date: | 2023-11-08 | Release date: | 2024-03-06 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Ligandability assessment of the C-terminal Rel-homology domain of NFAT1. Arch Pharm, 357, 2024
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4WK0
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![BU of 4wk0 by Molmil](/molmil-images/mine/4wk0) | Metal Ion and Ligand Binding of Integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP, ... | Authors: | Xia, W, Springer, T.A. | Deposit date: | 2014-10-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WJK
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![BU of 4wjk by Molmil](/molmil-images/mine/4wjk) | Metal Ion and Ligand Binding of Integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xia, W, Springer, T.A. | Deposit date: | 2014-09-30 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WKV
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![BU of 4wkv by Molmil](/molmil-images/mine/4wkv) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, trihydroxy(octyl)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1434 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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7CFO
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![BU of 7cfo by Molmil](/molmil-images/mine/7cfo) | Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | Descriptor: | 1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid, GLYCEROL, Retinoic acid receptor RXR-alpha | Authors: | Watanabe, M, Fujihara, M, Motoyama, T, Kawasaki, M, Yamada, S, Takamura, Y, Ito, S, Makishima, M, Nakano, S, Kakuta, H. | Deposit date: | 2020-06-27 | Release date: | 2021-01-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers. J.Med.Chem., 64, 2021
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4WK2
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![BU of 4wk2 by Molmil](/molmil-images/mine/4wk2) | Metal Ion and Ligand Binding of Integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Xia, W, Springer, T.A. | Deposit date: | 2014-10-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WKU
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![BU of 4wku by Molmil](/molmil-images/mine/4wku) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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5WQX
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![BU of 5wqx by Molmil](/molmil-images/mine/5wqx) | Covalent bond formation of synthetic ligand with hPPARg-LBD | Descriptor: | 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | Deposit date: | 2016-11-29 | Release date: | 2017-11-22 | Last modified: | 2017-12-13 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand Bioorg. Med. Chem., 25, 2017
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4WK4
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![BU of 4wk4 by Molmil](/molmil-images/mine/4wk4) | Metal Ion and Ligand Binding of Integrin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-CYS-ARG-GLY-ASP-GLY-TRP-CYS, ... | Authors: | Xia, W, Springer, T.A. | Deposit date: | 2014-10-01 | Release date: | 2014-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Metal ion and ligand binding of integrin alpha 5 beta 1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WKT
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![BU of 4wkt by Molmil](/molmil-images/mine/4wkt) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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8K1L
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![BU of 8k1l by Molmil](/molmil-images/mine/8k1l) | Cryo-EM structure of Na+,K+-ATPase alpha2 from Artemia salina in cation-free E2P form | Descriptor: | Na+,K+-ATPase alpha2KK, Na+,K+-ATPase beta2, TETRAFLUOROALUMINATE ION | Authors: | Abe, K, Artigas, P. | Deposit date: | 2023-07-11 | Release date: | 2023-11-29 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | A Na pump with reduced stoichiometry is up-regulated by brine shrimp in extreme salinities. Proc.Natl.Acad.Sci.USA, 120, 2023
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5X21
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![BU of 5x21 by Molmil](/molmil-images/mine/5x21) | Crystal structure of Thermus thermophilus transcription initiation complex with GpA and pseudouridimycin (PUM) | Descriptor: | (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Zhang, Y, Ebright, R. | Deposit date: | 2017-01-29 | Release date: | 2017-07-05 | Last modified: | 2022-10-12 | Method: | X-RAY DIFFRACTION (3.323 Å) | Cite: | Antibacterial Nucleoside-Analog Inhibitor of Bacterial RNA Polymerase. Cell, 169, 2017
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2XK3
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![BU of 2xk3 by Molmil](/molmil-images/mine/2xk3) | Structure of Nek2 bound to Aminopyrazine compound 35 | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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5X22
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4N7F
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2FAR
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![BU of 2far by Molmil](/molmil-images/mine/2far) | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with dATP and Manganese | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | Deposit date: | 2005-12-07 | Release date: | 2006-05-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D Proc.Natl.Acad.Sci.USA, 103, 2006
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6Q5I
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![BU of 6q5i by Molmil](/molmil-images/mine/6q5i) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24E | Descriptor: | AMMONIUM ION, CC-Hex*-L24E, SULFATE ION | Authors: | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5L
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![BU of 6q5l by Molmil](/molmil-images/mine/6q5l) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24H | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Hex*-L24H | Authors: | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5P
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![BU of 6q5p by Molmil](/molmil-images/mine/6q5p) | Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-II | Descriptor: | CC-Hex*-II, GLYCEROL, PHOSPHATE ION | Authors: | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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