7X0I
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7X0N
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7OFC
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![BU of 7ofc by Molmil](/molmil-images/mine/7ofc) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OFB
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![BU of 7ofb by Molmil](/molmil-images/mine/7ofb) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, SULFATE ION, ... | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7OF8
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![BU of 7of8 by Molmil](/molmil-images/mine/7of8) | Keap1 kelch domain bound to a small molecule fragment | Descriptor: | (2~{S})-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoic acid, Kelch-like ECH-associated protein 1 | Authors: | Narayanan, D, Bach, A, Gajhede, M. | Deposit date: | 2021-05-04 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. J.Med.Chem., 65, 2022
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7X0J
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7X0M
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3TKZ
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![BU of 3tkz by Molmil](/molmil-images/mine/3tkz) | Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide | Descriptor: | PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | Deposit date: | 2011-08-29 | Release date: | 2011-10-26 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
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3U2D
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![BU of 3u2d by Molmil](/molmil-images/mine/3u2d) | S. aureus GyrB ATPase domain in complex with small molecule inhibitor | Descriptor: | 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide, DNA gyrase subunit B, MAGNESIUM ION | Authors: | Boriack-Sjodin, P.A, Prince, D.B, Eakin, A.E, Sherer, B.A. | Deposit date: | 2011-10-03 | Release date: | 2012-01-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents. Antimicrob.Agents Chemother., 56, 2012
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7QY5
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![BU of 7qy5 by Molmil](/molmil-images/mine/7qy5) | Crystal structure of the S.pombe Ars2-Red1 complex. | Descriptor: | NURS complex subunit pir2, RNA elimination defective protein Red1, ZINC ION | Authors: | Foucher, A.E, Kadlec, J. | Deposit date: | 2022-01-27 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural analysis of Red1 as a conserved scaffold of the RNA-targeting MTREC/PAXT complex. Nat Commun, 13, 2022
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3TP3
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![BU of 3tp3 by Molmil](/molmil-images/mine/3tp3) | Structure of HTH-type transcriptional regulator EthR, G106W mutant | Descriptor: | HTH-type transcriptional regulator EthR | Authors: | Carette, X. | Deposit date: | 2011-09-07 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2011
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3U9Z
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![BU of 3u9z by Molmil](/molmil-images/mine/3u9z) | Crystal structure between actin and a protein construct containing the first beta-thymosin domain of drosophila ciboulot (residues 2-58) with the three mutations N26D/Q27K/D28S | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Renault, L, Husson, C, Carlier, M.F, Didry, D. | Deposit date: | 2011-10-20 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly Embo J., 31, 2012
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3TL0
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![BU of 3tl0 by Molmil](/molmil-images/mine/3tl0) | Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide | Descriptor: | RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | Deposit date: | 2011-08-29 | Release date: | 2011-09-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
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7QCE
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![BU of 7qce by Molmil](/molmil-images/mine/7qce) | Crystal structure of an atypical PHD finger of VIN3 | Descriptor: | DI(HYDROXYETHYL)ETHER, VIN3 (Protein VERNALIZATION INSENSITIVE 3), ZINC ION | Authors: | Franco-Echevarria, E, Fiedler, M, Dean, C, Bienz, M. | Deposit date: | 2021-11-23 | Release date: | 2022-11-16 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Plant vernalization proteins contain unusual PHD superdomains without histone H3 binding activity. J.Biol.Chem., 298, 2022
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3TSZ
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3TYN
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![BU of 3tyn by Molmil](/molmil-images/mine/3tyn) | Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol | Descriptor: | 2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2011-09-26 | Release date: | 2012-03-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Intramolecular hydrogen bonding: A potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. Bioorg.Med.Chem., 20, 2012
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7QKN
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![BU of 7qkn by Molmil](/molmil-images/mine/7qkn) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 7 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-18 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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7QL7
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![BU of 7ql7 by Molmil](/molmil-images/mine/7ql7) | Crystal structure of YTHDF1 YTH domain in complex with the ebsulfur derivative compound 9 | Descriptor: | 1,2-ETHANEDIOL, THIOCYANATE ION, YTH domain-containing family protein 1, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-12-19 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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3SI5
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![BU of 3si5 by Molmil](/molmil-images/mine/3si5) | Kinetochore-BUBR1 kinase complex | Descriptor: | Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Protein CASC5 | Authors: | Blundell, T.L, Chirgadze, D.Y, Bolanos-Garcia, V.M. | Deposit date: | 2011-06-17 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site. Structure, 19, 2011
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7OSC
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3SLA
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![BU of 3sla by Molmil](/molmil-images/mine/3sla) | X-ray structure of first four repeats of human beta-catenin | Descriptor: | Catenin beta-1, GLYCEROL, SODIUM ION | Authors: | Gupta, D, Bienz, M. | Deposit date: | 2011-06-24 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An intrinsically labile alpha-helix abutting the BCL9-binding site of beta-catenin is required for its inhibition by carnosic acid. Nat Commun, 3, 2012
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7QAN
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![BU of 7qan by Molmil](/molmil-images/mine/7qan) | Cytochrome P450 Enzyme AbyV | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CHLORIDE ION, Cytochrome P450, ... | Authors: | Parnell, A.E, Back, C.R, Race, P.R. | Deposit date: | 2021-11-17 | Release date: | 2022-11-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis. Angew.Chem.Int.Ed.Engl., 62, 2023
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3SL9
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![BU of 3sl9 by Molmil](/molmil-images/mine/3sl9) | X-ray structure of Beta catenin in complex with Bcl9 | Descriptor: | 1,2-ETHANEDIOL, B-cell CLL/lymphoma 9 protein, Catenin beta-1, ... | Authors: | Gupta, D, Bienz, M. | Deposit date: | 2011-06-24 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An intrinsically labile alpha-helix abutting the BCL9-binding site of beta-catenin is required for its inhibition by carnosic acid. Nat Commun, 3, 2012
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3R33
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![BU of 3r33 by Molmil](/molmil-images/mine/3r33) | Evidence for dynamic motion in proteins as a mechanism for ligand dissociation | Descriptor: | (6S)-6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Collins, E.J, Lee, A.L, Carroll, M.J, Mauldin, R.V, Gromova, A.V, Singleton, S.F. | Deposit date: | 2011-03-15 | Release date: | 2012-01-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Evidence for dynamics in proteins as a mechanism for ligand dissociation. Nat.Chem.Biol., 8, 2012
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3QZU
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![BU of 3qzu by Molmil](/molmil-images/mine/3qzu) | Crystal structure of Bacillus subtilis Lipase A 7-fold mutant; the outcome of directed evolution towards thermostability | Descriptor: | CHLORIDE ION, GLYCEROL, Lipase estA, ... | Authors: | Pijning, T, Augustyniak, W, Reetz, M.T, Dijkstra, B.W. | Deposit date: | 2011-03-07 | Release date: | 2012-02-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Biophysical characterization of mutants of Bacillus subtilis lipase evolved for thermostability: Factors contributing to increased activity retention. Protein Sci., 21, 2012
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