4LCE
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![BU of 4lce by Molmil](/molmil-images/mine/4lce) | CtBP1 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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4LCJ
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![BU of 4lcj by Molmil](/molmil-images/mine/4lcj) | CtBP2 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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4ZNJ
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![BU of 4znj by Molmil](/molmil-images/mine/4znj) | Thermus Phage P74-26 Large Terminase ATPase domain mutant R139A (I 2 3 space group) | Descriptor: | Phage terminase large subunit, SULFATE ION | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZNK
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![BU of 4znk by Molmil](/molmil-images/mine/4znk) | Thermus Phage P74-26 Large Terminase ATPase domain from (P 32 2 1 space group) | Descriptor: | Phage terminase large subunit, SULFATE ION | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZNI
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![BU of 4zni by Molmil](/molmil-images/mine/4zni) | Thermus Phage P74-26 Large Terminase ATPase domain (I 2 3 space group) | Descriptor: | Phage terminase large subunit, SULFATE ION | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Sankaran, B, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZNL
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![BU of 4znl by Molmil](/molmil-images/mine/4znl) | Thermus Phage P74-26 Large Terminase ATPase domain bound to ADP Beryllium Fluoride | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | Authors: | Hilbert, B.J, Hayes, J.A, Stone, N.P, Duffy, C.M, Kelch, B.A. | Deposit date: | 2015-05-04 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.068 Å) | Cite: | Structure and mechanism of the ATPase that powers viral genome packaging. Proc.Natl.Acad.Sci.USA, 112, 2015
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4U6Q
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![BU of 4u6q by Molmil](/molmil-images/mine/4u6q) | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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5TGE
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![BU of 5tge by Molmil](/molmil-images/mine/5tge) | |
7KS4
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![BU of 7ks4 by Molmil](/molmil-images/mine/7ks4) | |
6BL5
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![BU of 6bl5 by Molmil](/molmil-images/mine/6bl5) | Head decoration protein from the hyperthermophilic phage P74-26 | Descriptor: | Head decoration protein | Authors: | Stone, N.P, Hilbert, B.J, Hidalgo, D, Halloran, K.T, Kelch, B.A. | Deposit date: | 2017-11-09 | Release date: | 2018-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A Hyperthermophilic Phage Decoration Protein Suggests Common Evolutionary Origin with Herpesvirus Triplex Proteins and an Anti-CRISPR Protein. Structure, 26, 2018
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5E0U
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![BU of 5e0u by Molmil](/molmil-images/mine/5e0u) | |
5E0T
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![BU of 5e0t by Molmil](/molmil-images/mine/5e0t) | Human PCNA mutant - S228I | Descriptor: | Proliferating cell nuclear antigen | Authors: | Duffy, C.M, Hilbert, B.J, Kelch, B.A. | Deposit date: | 2015-09-29 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6653 Å) | Cite: | A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site. J.Mol.Biol., 428, 2016
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5E0V
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![BU of 5e0v by Molmil](/molmil-images/mine/5e0v) | |
5KEG
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![BU of 5keg by Molmil](/molmil-images/mine/5keg) | Crystal structure of APOBEC3A in complex with a single-stranded DNA | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ... | Authors: | Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A. | Deposit date: | 2016-06-09 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity. Nat Commun, 8, 2017
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6V1I
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![BU of 6v1i by Molmil](/molmil-images/mine/6v1i) | Cryo-EM reconstruction of the thermophilic bacteriophage P74-26 small terminase- symmetric | Descriptor: | Small terminase protein | Authors: | Hayes, J.A, Hilbert, B.J, Gaubitz, C, Stone, N.P, Kelch, B.A. | Deposit date: | 2019-11-20 | Release date: | 2020-02-12 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A thermophilic phage uses a small terminase protein with a fixed helix-turn-helix geometry. J.Biol.Chem., 295, 2020
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8TDU
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![BU of 8tdu by Molmil](/molmil-images/mine/8tdu) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | Descriptor: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | Authors: | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | Deposit date: | 2023-07-05 | Release date: | 2023-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TQD
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![BU of 8tqd by Molmil](/molmil-images/mine/8tqd) | NF-Kappa-B1 Bound with a Covalent Inhibitor | Descriptor: | 1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide, Nuclear factor NF-kappa-B p105 subunit | Authors: | Hilbert, B.J. | Deposit date: | 2023-08-07 | Release date: | 2024-04-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | DrugMap: A quantitative pan-cancer analysis of cysteine ligandability. Cell, 187, 2024
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