4EJN
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![BU of 4ejn by Molmil](/molmil-images/mine/4ejn) | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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6DUY
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1D6E
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![BU of 1d6e by Molmil](/molmil-images/mine/1d6e) | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-13 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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6WNU
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![BU of 6wnu by Molmil](/molmil-images/mine/6wnu) | |
6WNI
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6SBA
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![BU of 6sba by Molmil](/molmil-images/mine/6sba) | Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic | Descriptor: | ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ... | Authors: | Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R. | Deposit date: | 2019-07-19 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A protein tertiary structure mimetic modulator of the Hippo signalling pathway. Nat Commun, 11, 2020
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3H98
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![BU of 3h98 by Molmil](/molmil-images/mine/3h98) | Crystal structure of HCV NS5b 1b with (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyrimidine derivative | Descriptor: | GLYCEROL, N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Wang, G, Lei, H, Wang, X, Das, D, Mackinnon, C, Montalbetti, C.A.G, Mears, R, Gai, X, Bailey, S, Ruhrmund, D, Hooi, L, Misialek, S, Rajagopalan, R, Cheng, R.K.Y, Barker, J.L, Felicetti, B, Stoycheva, A, Buckman, B, Kossen, K, Seiwert, S, Beigelmana, L. | Deposit date: | 2009-04-30 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | HCV NS5B polymerase inhibitors 2: Synthesis and in vitro activity of (1,1-dioxo-2H-[1,2,4]benzothiadiazin-3-yl) azolo[1,5-a]pyridine and azolo[1,5-a]pyrimidine derivatives. Bioorg.Med.Chem.Lett., 19, 2009
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7SP3
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![BU of 7sp3 by Molmil](/molmil-images/mine/7sp3) | E. coli RppH bound to Ap4A | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Serganov, A.A, Vasilyev, N, Nuthanakanti, A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A distinct RNA recognition mechanism governs Np 4 decapping by RppH. Proc.Natl.Acad.Sci.USA, 119, 2022
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6CFD
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![BU of 6cfd by Molmil](/molmil-images/mine/6cfd) | ADEP4 bound to E. faecium ClpP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit, N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2018-02-14 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | In VivoandIn VitroEffects of a ClpP-Activating Antibiotic against Vancomycin-Resistant Enterococci. Antimicrob. Agents Chemother., 62, 2018
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5WMG
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![BU of 5wmg by Molmil](/molmil-images/mine/5wmg) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5WMD
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![BU of 5wmd by Molmil](/molmil-images/mine/5wmd) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)acetamide, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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5WMA
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![BU of 5wma by Molmil](/molmil-images/mine/5wma) | N-terminal bromodomain of BRD4 in complex with PLX5981 | Descriptor: | 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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4WXP
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![BU of 4wxp by Molmil](/molmil-images/mine/4wxp) | |
5VZ2
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![BU of 5vz2 by Molmil](/molmil-images/mine/5vz2) | |
5W18
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![BU of 5w18 by Molmil](/molmil-images/mine/5w18) | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2017-06-02 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ureadepsipeptides as ClpP Activators. Acs Infect Dis., 2019
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4OS7
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![BU of 4os7 by Molmil](/molmil-images/mine/4os7) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic) | Descriptor: | ACETATE ION, GLYCEROL, SULFATE ION, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS5
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4OS1
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![BU of 4os1 by Molmil](/molmil-images/mine/4os1) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS6
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![BU of 4os6 by Molmil](/molmil-images/mine/4os6) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS4
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![BU of 4os4 by Molmil](/molmil-images/mine/4os4) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1) | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4OS2
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![BU of 4os2 by Molmil](/molmil-images/mine/4os2) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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3C7X
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![BU of 3c7x by Molmil](/molmil-images/mine/3c7x) | Hemopexin-like domain of matrix metalloproteinase 14 | Descriptor: | CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION | Authors: | Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P. | Deposit date: | 2008-02-08 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions J.Biol.Chem., 286, 2011
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3UDL
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![BU of 3udl by Molmil](/molmil-images/mine/3udl) | 3-heterocyclyl quinolone bound to HCV NS5B | Descriptor: | 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase | Authors: | Somoza, J.R. | Deposit date: | 2011-10-28 | Release date: | 2011-12-21 | Method: | X-RAY DIFFRACTION (2.174 Å) | Cite: | Quinolones as HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4TVM
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4TVO
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![BU of 4tvo by Molmil](/molmil-images/mine/4tvo) | |