1ZHL
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![BU of 1zhl by Molmil](/molmil-images/mine/1zhl) | Crystal structure of HLA-B*3508 presenting 13-mer EBV antigen LPEPLPQGQLTAY | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | Deposit date: | 2005-04-26 | Release date: | 2005-05-17 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance J.Biol.Chem., 280, 2005
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4ND3
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4NGE
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![BU of 4nge by Molmil](/molmil-images/mine/4nge) | Crystal Structure of Human Presequence Protease in Complex with Amyloid-beta (1-40) | Descriptor: | ACETATE ION, Beta-amyloid protein 40, GLYCEROL, ... | Authors: | King, J.V, Liang, W.G, Tang, W.J. | Deposit date: | 2013-11-01 | Release date: | 2014-05-14 | Last modified: | 2014-07-23 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Molecular basis of substrate recognition and degradation by human presequence protease. Structure, 22, 2014
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4OU0
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4QIA
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![BU of 4qia by Molmil](/molmil-images/mine/4qia) | Crystal structure of human insulin degrading enzyme (ide) in complex with inhibitor N-benzyl-N-(carboxymethyl)glycyl-L-histidine | Descriptor: | Insulin-degrading enzyme, N-benzyl-N-(carboxymethyl)glycyl-L-histidine, ZINC ION | Authors: | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | Deposit date: | 2014-05-30 | Release date: | 2015-05-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.202 Å) | Cite: | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur.J.Med.Chem., 90, 2015
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4O0A
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![BU of 4o0a by Molmil](/molmil-images/mine/4o0a) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-12-13 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J. Med. Chem., 56, 2013
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4RE9
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![BU of 4re9 by Molmil](/molmil-images/mine/4re9) | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ... | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W.J. | Deposit date: | 2014-09-22 | Release date: | 2015-09-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.908 Å) | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice. Nat Commun, 6, 2015
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4ND4
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4R4Q
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![BU of 4r4q by Molmil](/molmil-images/mine/4r4q) | Crystal structure of RPA70N in complex with 5-(3-((N-(4-(5-carboxyfuran-2-yl)benzyl)acetamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-[4-({acetyl[4-(5-carboxyfuran-2-yl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4R5R
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4R4C
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![BU of 4r4c by Molmil](/molmil-images/mine/4r4c) | Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)-2-chlorobenzamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-[4-({[4-(5-carboxyfuran-2-yl)-2-chlorobenzoyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4PHC
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![BU of 4phc by Molmil](/molmil-images/mine/4phc) | Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound | Descriptor: | GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ... | Authors: | Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J. | Deposit date: | 2014-05-06 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.844 Å) | Cite: | Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases. Biochimie, 106, 2014
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4REE
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![BU of 4ree by Molmil](/molmil-images/mine/4ree) | Crystal Structure of TR3 LBD in complex with Molecule 6 | Descriptor: | 1-(2,3,4-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4R5U
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4RA8
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![BU of 4ra8 by Molmil](/molmil-images/mine/4ra8) | Structure analysis of the Mip1a P8A mutant | Descriptor: | C-C motif chemokine 3 | Authors: | Liang, W.G, Ren, M, Guo, Q, Tang, W.J. | Deposit date: | 2014-09-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme. J.Mol.Biol., 427, 2015
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4RAL
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![BU of 4ral by Molmil](/molmil-images/mine/4ral) | Crystal structure of insulin degrading enzyme in complex with macrophage inflammatory protein 1 beta | Descriptor: | C-C motif chemokine 4, Insulin-degrading enzyme, ZINC ION | Authors: | Liang, W.G, Ren, M, Guo, Q, Tang, W.J. | Deposit date: | 2014-09-10 | Release date: | 2015-05-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.148 Å) | Cite: | Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme. J.Mol.Biol., 427, 2015
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4REF
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![BU of 4ref by Molmil](/molmil-images/mine/4ref) | Crystal Structure of TR3 LBD_L449W in complex with Molecule 2 | Descriptor: | 1-(3,4,5-trihydroxyphenyl)hexan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W. | Deposit date: | 2014-09-22 | Release date: | 2015-09-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity Chem.Biol., 22, 2015
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4R4I
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![BU of 4r4i by Molmil](/molmil-images/mine/4r4i) | Structure of RPA70N in complex with 5-(4-((6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4R4O
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![BU of 4r4o by Molmil](/molmil-images/mine/4r4o) | Crystal structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)benzyl)carbamothioyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]carbamothioyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4R4T
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![BU of 4r4t by Molmil](/molmil-images/mine/4r4t) | Crystal Structure of RPA70N in complex with 5-(4-((4-(5-carboxyfuran-2-yl)phenylthioamido)methyl)phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Waterson, A.G, Kennedy, J.P, Patrone, J.D, Pelz, N.F, Frank, A.O, Vangamudi, B, Sousa-Fagundes, E.M, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2014-08-19 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Diphenylpyrazoles as replication protein a inhibitors. ACS Med Chem Lett, 6, 2015
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4RPU
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![BU of 4rpu by Molmil](/molmil-images/mine/4rpu) | Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60 | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Mo, S.M, Liang, W.G, King, J.V, Wijaya, J, Koehler, C.M, Tang, W.J. | Deposit date: | 2014-10-31 | Release date: | 2015-12-09 | Method: | X-RAY DIFFRACTION (2.265 Å) | Cite: | Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60 TO BE PUBLISHED
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4RQG
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9BJU
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![BU of 9bju by Molmil](/molmil-images/mine/9bju) | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | Descriptor: | 1,2-ETHANEDIOL, 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, ACETATE ION, ... | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | Deposit date: | 2024-04-25 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
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1ZHK
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![BU of 1zhk by Molmil](/molmil-images/mine/1zhk) | Crystal structure of HLA-B*3501 presenting 13-mer EBV antigen LPEPLPQGQLTAY | Descriptor: | Beta-2-microglobulin, EBV-peptide LPEPLPQGQLTAY, HLA class I histocompatibility antigen, ... | Authors: | Tynan, F.E, Borg, N.A, Miles, J.J, Beddoe, T, El-Hassen, D, Silins, S.L, van Zuylen, W.J, Purcell, A.W, Kjer-Nielsen, L, McCluskey, J, Burrows, S.R, Rossjohn, J. | Deposit date: | 2005-04-26 | Release date: | 2005-05-17 | Last modified: | 2014-04-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structures of highly bulged viral epitopes bound to the major histocompatability class I: Implications for T-cell receptor engagement and T-cell immunodominance J.Biol.Chem., 280, 2005
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9BOL
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![BU of 9bol by Molmil](/molmil-images/mine/9bol) | Crystal structure of the complex between VHL, ElonginB, ElonginC, and compound 5 | Descriptor: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Murray, J.M, Wu, H, Fuhrmann, J, Fairbrother, W.J, DiPasquale, A. | Deposit date: | 2024-05-03 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Potency-enhanced peptidomimetic VHL ligands with improved oral bioavailability To Be Published
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