1E1Y
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![BU of 1e1y by Molmil](/molmil-images/mine/1e1y) | Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site | Descriptor: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, ... | Authors: | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Tsitsanou, K.E, Johnson, L.N. | Deposit date: | 2000-05-11 | Release date: | 2000-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Flavopiridol Inhibits Glycogen Phosphorylase by Binding at the Inhibitor Site J.Biol.Chem., 275, 2000
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4KZ0
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![BU of 4kz0 by Molmil](/molmil-images/mine/4kz0) | Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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4KZC
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![BU of 4kzc by Molmil](/molmil-images/mine/4kzc) | Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Knapp, M.S, Elling, E.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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2NN7
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![BU of 2nn7 by Molmil](/molmil-images/mine/2nn7) | Structure of inhibitor binding to Carbonic Anhydrase I | Descriptor: | Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-23 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
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2NNG
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![BU of 2nng by Molmil](/molmil-images/mine/2nng) | Structure of inhibitor binding to Carbonic Anhydrase II | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-24 | Release date: | 2007-05-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
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2NNS
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2NN1
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![BU of 2nn1 by Molmil](/molmil-images/mine/2nn1) | Structure of inhibitor binding to Carbonic Anhydrase I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-23 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II J.Am.Chem.Soc., 129, 2007
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2NNO
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![BU of 2nno by Molmil](/molmil-images/mine/2nno) | Structure of inhibitor binding to Carbonic Anhydrase II | Descriptor: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-24 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
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2F9V
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![BU of 2f9v by Molmil](/molmil-images/mine/2f9v) | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | Deposit date: | 2005-12-06 | Release date: | 2007-01-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity. Bioorg.Med.Chem.Lett., 16, 2006
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2NMX
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![BU of 2nmx by Molmil](/molmil-images/mine/2nmx) | Structure of inhibitor binding to Carbonic Anhydrase I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 1, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-23 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II J.Am.Chem.Soc., 129, 2007
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2IEE
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![BU of 2iee by Molmil](/molmil-images/mine/2iee) | Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574. | Descriptor: | Probable ABC transporter extracellular-binding protein yckB | Authors: | Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-09-18 | Release date: | 2006-10-03 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis. To be Published
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2INW
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![BU of 2inw by Molmil](/molmil-images/mine/2inw) | Crystal structure of Q83JN9 from Shigella flexneri at high resolution. Northeast Structural Genomics Consortium target SfR137. | Descriptor: | PHOSPHATE ION, Putative structural protein | Authors: | Kuzin, A.P, Su, M, Jayaraman, S, Vorobiev, S.M, Wang, D, Jiang, M, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-10-09 | Release date: | 2006-10-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structures of Phd-Doc, HigA, and YeeU Establish Multiple Evolutionary Links between Microbial Growth-Regulating Toxin-Antitoxin Systems. Structure, 18, 2010
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1RZW
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![BU of 1rzw by Molmil](/molmil-images/mine/1rzw) | The Solution Structure of the Archaeglobus fulgidis protein AF2095. Northeast Structural Genomics Consortium target GR4 | Descriptor: | Protein AF2095(GR4) | Authors: | Powers, R, Acton, T.B, Huang, Y.J, Liu, J, Ma, L, Rost, B, Chiang, Y, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-12-29 | Release date: | 2004-11-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Archaeglobus fulgidis peptidyl-tRNA hydrolase (Pth2) provides evidence for an extensive conserved family of Pth2 enzymes in archea, bacteria, and eukaryotes Protein Sci., 14, 2005
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6PCU
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1CA5
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![BU of 1ca5 by Molmil](/molmil-images/mine/1ca5) | INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*AP*C)-3', CHROMOSOMAL PROTEIN SAC7D | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1999-02-23 | Release date: | 2000-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs J.Mol.Biol., 303, 2000
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1CA6
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![BU of 1ca6 by Molmil](/molmil-images/mine/1ca6) | INTERCALATION SITE OF HYPERTHERMOPHILE CHROMOSOMAL PROTEIN SSO7D/SAC7D BOUND TO DNA | Descriptor: | 5'-D(*GP*TP*GP*AP*TP*CP*GP*C)-3', CHROMOSOMAL PROTEIN SAC7D | Authors: | Su, S, Gao, Y.-G, Robinson, H, Shriver, J.W, Wang, A.H.-J. | Deposit date: | 1999-02-23 | Release date: | 2000-02-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the chromosomal proteins Sso7d/Sac7d bound to DNA containing T-G mismatched base-pairs J.Mol.Biol., 303, 2000
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2E2X
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7UWG
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![BU of 7uwg by Molmil](/molmil-images/mine/7uwg) | The crystal structure of the TIR domain-containing protein from Acinetobacter baumannii (AbTir) | Descriptor: | HEXAETHYLENE GLYCOL, Molecular chaperone Tir, SULFATE ION | Authors: | Manik, M.K, Nanson, J.D, Ve, T, Kobe, B. | Deposit date: | 2022-05-03 | Release date: | 2022-09-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science, 377, 2022
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7UVF
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![BU of 7uvf by Molmil](/molmil-images/mine/7uvf) | Crystal structure of ZED8 Fab complex with CD8 alpha | Descriptor: | CHLORIDE ION, GLYCEROL, Immunoglobulin heavy chain, ... | Authors: | Yu, C, Davies, C, Koerber, J.T, Williams, S. | Deposit date: | 2022-05-01 | Release date: | 2022-10-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Preclinical development of ZED8, an 89 Zr immuno-PET reagent for monitoring tumor CD8 status in patients undergoing cancer immunotherapy. Eur J Nucl Med Mol Imaging, 50, 2023
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7T3H
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![BU of 7t3h by Molmil](/molmil-images/mine/7t3h) | MicroED structure of Dynobactin | Descriptor: | TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE | Authors: | Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. | Deposit date: | 2021-12-07 | Release date: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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1R9P
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![BU of 1r9p by Molmil](/molmil-images/mine/1r9p) | Solution NMR Structure Of The Haemophilus Influenzae Iron-Sulfur Cluster Assembly Protein U (IscU) with Zinc Bound at the Active Site. Northeast Structural Genomics Consortium Target IR24. | Descriptor: | NifU-like protein, ZINC ION | Authors: | Ramelot, T.A, Cort, J.R, Xiao, R, Shastry, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-10-30 | Release date: | 2004-11-09 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site. J.Mol.Biol., 344, 2004
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6WOK
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![BU of 6wok by Molmil](/molmil-images/mine/6wok) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 6 | Descriptor: | (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S. | Deposit date: | 2020-04-24 | Release date: | 2020-07-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.309 Å) | Cite: | Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer. Acs Med.Chem.Lett., 11, 2020
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7TZ7
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![BU of 7tz7 by Molmil](/molmil-images/mine/7tz7) | PI3K alpha in complex with an inhibitor | Descriptor: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Knapp, M.S, Tang, J. | Deposit date: | 2022-02-15 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor. J.Med.Chem., 65, 2022
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6FIB
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![BU of 6fib by Molmil](/molmil-images/mine/6fib) | Structure of human 4-1BB ligand | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | Deposit date: | 2018-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy. Sci Transl Med, 11, 2019
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6OK4
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