8A68
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![BU of 8a68 by Molmil](/molmil-images/mine/8a68) | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-16 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8A6F
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![BU of 8a6f by Molmil](/molmil-images/mine/8a6f) | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | Descriptor: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-06-17 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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8AFN
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![BU of 8afn by Molmil](/molmil-images/mine/8afn) | Small molecule stabilizer (compound 1) for ERalpha and 14-3-3 | Descriptor: | 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ... | Authors: | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | Deposit date: | 2022-07-18 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers. Acs Cent.Sci., 9, 2023
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1M47
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![BU of 1m47 by Molmil](/molmil-images/mine/1m47) | Crystal Structure of Human Interleukin-2 | Descriptor: | SULFATE ION, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Binding of small molecules to an adaptive protein-protein interface. Proc.Natl.Acad.Sci.USA, 100, 2003
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4W5C
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![BU of 4w5c by Molmil](/molmil-images/mine/4w5c) | Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). | Descriptor: | 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... | Authors: | Tochowicz, A, McKerrow, J.H, Craik, C.S. | Deposit date: | 2014-08-17 | Release date: | 2015-04-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
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8FCR
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![BU of 8fcr by Molmil](/molmil-images/mine/8fcr) | Cryo-EM structure of p97:UBXD1 H4-bound state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCT
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![BU of 8fct by Molmil](/molmil-images/mine/8fct) | Cryo-EM structure of p97:UBXD1 lariat mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCQ
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![BU of 8fcq by Molmil](/molmil-images/mine/8fcq) | Cryo-EM structure of p97:UBXD1 PUB-in state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCM
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![BU of 8fcm by Molmil](/molmil-images/mine/8fcm) | Cryo-EM structure of p97:UBXD1 open state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCO
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![BU of 8fco by Molmil](/molmil-images/mine/8fco) | Cryo-EM structure of p97:UBXD1 meta state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCN
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![BU of 8fcn by Molmil](/molmil-images/mine/8fcn) | Cryo-EM structure of p97:UBXD1 VIM-only state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCP
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![BU of 8fcp by Molmil](/molmil-images/mine/8fcp) | Cryo-EM structure of p97:UBXD1 para state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.52 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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8FCL
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![BU of 8fcl by Molmil](/molmil-images/mine/8fcl) | Cryo-EM structure of p97:UBXD1 closed state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | Authors: | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | Deposit date: | 2022-12-01 | Release date: | 2023-06-21 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.51 Å) | Cite: | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions. Nat.Struct.Mol.Biol., 30, 2023
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7TCZ
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![BU of 7tcz by Molmil](/molmil-images/mine/7tcz) | Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor | Descriptor: | Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | Authors: | Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S. | Deposit date: | 2021-12-29 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine. Cell Chem Biol, 29, 2022
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4W5B
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![BU of 4w5b by Molmil](/molmil-images/mine/4w5b) | |
6Y1D
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![BU of 6y1d by Molmil](/molmil-images/mine/6y1d) | |
6Y58
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![BU of 6y58 by Molmil](/molmil-images/mine/6y58) | Binary complex of 14-3-3 sigma (C38N) with the Estrogen Related Receptor gamma (LBD) phosphopeptide | Descriptor: | 14-3-3 protein sigma, Estrogen Related Receptor gamma phosphopeptide, MAGNESIUM ION | Authors: | Somsen, B.A, Sijbesma, E, Leijten-van de Gevel, I.A, Ottmann, C. | Deposit date: | 2020-02-25 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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6Y18
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![BU of 6y18 by Molmil](/molmil-images/mine/6y18) | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 | Descriptor: | 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-02-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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6XY5
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![BU of 6xy5 by Molmil](/molmil-images/mine/6xy5) | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 5 | Descriptor: | 14-3-3 protein sigma, 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-01-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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6XXC
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![BU of 6xxc by Molmil](/molmil-images/mine/6xxc) | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 4 | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Estrogen Related Receptor gamma phosphopeptide, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-01-27 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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6Y3W
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![BU of 6y3w by Molmil](/molmil-images/mine/6y3w) | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 1 | Descriptor: | 14-3-3 protein sigma, 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | Authors: | Somsen, B.A, Ottmann, C. | Deposit date: | 2020-02-19 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers. Acs Chem.Biol., 15, 2020
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8BYO
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![BU of 8byo by Molmil](/molmil-images/mine/8byo) | fragment-linked stabilizer for ERa - 14-3-3 interaction (1074361) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2023-01-18 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZW
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![BU of 8bzw by Molmil](/molmil-images/mine/8bzw) | Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-[(2~{R})-3-azanyl-2-methyl-propyl]-7-methoxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-15 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8BZB
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![BU of 8bzb by Molmil](/molmil-images/mine/8bzb) | co-soak stabilizers for ERa - 14-3-3 interaction (884_AZ275) | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, 4-ethoxy-1-benzothiophene-2-carboximidamide, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2022-12-14 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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8C4G
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![BU of 8c4g by Molmil](/molmil-images/mine/8c4g) | Small molecule amidine soak in 14-3-3/ERa (AZ132) | Descriptor: | 14-3-3 protein sigma, ERalpha peptide, MAGNESIUM ION, ... | Authors: | Visser, E.J, Sijbesma, E, Ottmann, C. | Deposit date: | 2023-01-03 | Release date: | 2023-08-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions through Fragment Linking. Angew.Chem.Int.Ed.Engl., 62, 2023
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