7QUV
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![BU of 7quv by Molmil](/molmil-images/mine/7quv) | Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3 | Descriptor: | 1,2-ETHANEDIOL, 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid, AMINO GROUP, ... | Authors: | Diaz-Perlas, C, Heinis, C, Pojer, F, Lau, K. | Deposit date: | 2022-01-19 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | High-affinity peptides developed against calprotectin and their application as synthetic ligands in diagnostic assays. Nat Commun, 14, 2023
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5SYJ
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4GIZ
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![BU of 4giz by Molmil](/molmil-images/mine/4giz) | Crystal structure of full-length human papillomavirus oncoprotein E6 in complex with LXXLL peptide of ubiquitin ligase E6AP at 2.55 A resolution | Descriptor: | Maltose-binding periplasmic protein, UBIQUITIN LIGASE EA6P: chimeric protein, Protein E6, ... | Authors: | McEwen, A.G, Zanier, K, Charbonnier, S, Poussin, P, Cura, V, Vande Pol, S, Trave, G, Cavarelli, J. | Deposit date: | 2012-08-09 | Release date: | 2013-01-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis for hijacking of cellular LxxLL motifs by papillomavirus E6 oncoproteins. Science, 339, 2013
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1JK4
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![BU of 1jk4 by Molmil](/molmil-images/mine/1jk4) | DES 1-6 BOVINE NEUROPHYSIN II COMPLEX WITH VASOPRESSIN | Descriptor: | CADMIUM ION, Lys Vasopressin, NEUROPHYSIN 2 | Authors: | Rose, J.P, Wang, B.-C. | Deposit date: | 2001-07-11 | Release date: | 2003-02-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of an Unliganded Neurophysin and its Vasopressin Complex: Implications for Binding and Allosteric Mechanisms Protein Sci., 10, 2001
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2QHS
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![BU of 2qhs by Molmil](/molmil-images/mine/2qhs) | Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B | Descriptor: | Lipoyltransferase, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Kim, D.J, Lee, S.J, Kim, H.S, Kim, K.H, Lee, H.H, Yoon, H.J, Suh, S.W. | Deposit date: | 2007-07-02 | Release date: | 2008-02-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of octanoic acid recognition by lipoate-protein ligase B Proteins, 70, 2008
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2CDT
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![BU of 2cdt by Molmil](/molmil-images/mine/2cdt) | alpha-SPECTRIN SH3 DOMAIN A56S MUTANT | Descriptor: | SPECTRIN ALPHA CHAIN | Authors: | Casares, S, Camara-Artigas, A, Vega, M.C, Lopez-Mayorga, O, Conejero-Lara, F. | Deposit date: | 2006-01-27 | Release date: | 2007-02-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Cooperative Propagation of Local Stability Changes from Low-Stability and High-Stability Regions in a SH3 Domain. Proteins: Struct., Funct., Bioinf., 67, 2007
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2QHT
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![BU of 2qht by Molmil](/molmil-images/mine/2qht) | Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B | Descriptor: | Lipoyltransferase | Authors: | Kim, D.J, Lee, S.J, Kim, H.S, Kim, K.H, Lee, H.H, Yoon, H.J, Suh, S.W. | Deposit date: | 2007-07-02 | Release date: | 2008-02-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural basis of octanoic acid recognition by lipoate-protein ligase B Proteins, 70, 2008
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2QHV
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![BU of 2qhv by Molmil](/molmil-images/mine/2qhv) | Structural Basis of Octanoic Acid Recognition by Lipoate-Protein Ligase B | Descriptor: | Lipoyltransferase, OCTAN-1-OL | Authors: | Kim, D.J, Lee, S.J, Kim, H.S, Kim, K.H, Lee, H.H, Yoon, H.J, Suh, S.W. | Deposit date: | 2007-07-03 | Release date: | 2008-02-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of octanoic acid recognition by lipoate-protein ligase B Proteins, 70, 2008
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6WH2
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![BU of 6wh2 by Molmil](/molmil-images/mine/6wh2) | Structure of the C-terminal BRCT domain of human XRCC1 | Descriptor: | X-ray repair cross complementing protein 1 variant | Authors: | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | Deposit date: | 2020-04-07 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex. Nucleic Acids Res., 49, 2021
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8VXD
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8UWU
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![BU of 8uwu by Molmil](/molmil-images/mine/8uwu) | EmrE structure in the proton-bound state (WT/L51I heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-11-08 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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3D10
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![BU of 3d10 by Molmil](/molmil-images/mine/3d10) | Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 10.0 | Descriptor: | CALCIUM ION, Protein S100-B, TRIETHYLENE GLYCOL, ... | Authors: | Ostendorp, T, Diez, J, Heizmann, C.W, Fritz, G. | Deposit date: | 2008-05-02 | Release date: | 2009-04-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping. Biochim.Biophys.Acta, 1813, 2011
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8VXF
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![BU of 8vxf by Molmil](/molmil-images/mine/8vxf) | Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8P26
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![BU of 8p26 by Molmil](/molmil-images/mine/8p26) | Crystal structure of Arabidopsis thaliana PAXX | Descriptor: | U2 small nuclear ribonucleoprotein auxiliary factor-like protein | Authors: | Ochi, T. | Deposit date: | 2023-05-15 | Release date: | 2023-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Plant PAXX has an XLF-like function and stimulates DNA end joining by the Ku-DNA ligase IV/XRCC4 complex. Plant J., 116, 2023
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2FRS
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6BRT
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![BU of 6brt by Molmil](/molmil-images/mine/6brt) | F-box protein CTH with hydrolase | Descriptor: | (5R)-5-hydroxy-3-methylfuran-2(5H)-one, D3-CTH-D14-D-ring | Authors: | Shabek, N, Zheng, N, Mao, H, Hinds, T.R, Ticchiarelli, F, Leyser, O. | Deposit date: | 2017-12-01 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Structural plasticity of D3-D14 ubiquitin ligase in strigolactone signalling. Nature, 563, 2018
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2FS6
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8AIJ
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![BU of 8aij by Molmil](/molmil-images/mine/8aij) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-26 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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8AIY
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![BU of 8aiy by Molmil](/molmil-images/mine/8aiy) | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide (4i) | Descriptor: | CALCIUM ION, Fucose-binding lectin PA-IIL, N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide, ... | Authors: | Meiers, J, Mala, P, Varrot, A, Siebs, E, Imberty, A, Titz, A. | Deposit date: | 2022-07-27 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem., 65, 2022
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8JI5
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![BU of 8ji5 by Molmil](/molmil-images/mine/8ji5) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ | Descriptor: | 5-bromo-L-tryptophan, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI4
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![BU of 8ji4 by Molmil](/molmil-images/mine/8ji4) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8J00
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![BU of 8j00 by Molmil](/molmil-images/mine/8j00) | Human KCNQ2-CaM in complex with CBD | Descriptor: | Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, cannabidiol | Authors: | Ma, D, Li, X, Guo, J. | Deposit date: | 2023-04-09 | Release date: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand activation mechanisms of human KCNQ2 channel. Nat Commun, 14, 2023
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8JI3
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![BU of 8ji3 by Molmil](/molmil-images/mine/8ji3) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+ | Descriptor: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI6
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![BU of 8ji6 by Molmil](/molmil-images/mine/8ji6) | Crystal structure of AetD in complex with L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI7
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![BU of 8ji7 by Molmil](/molmil-images/mine/8ji7) | Crystal structure of AetD in complex with L-tryptophan and two Fe2+ | Descriptor: | AetD, FE (II) ION, NICKEL (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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