6MDU
 
 | | Crystal structure of NDM-1 with compound 7 | | Descriptor: | 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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4M9K
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6LZL
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine | | Descriptor: | (2E,4E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)penta-2,4-dien-1-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Liu, Z.H, Wu, D, Lu, W.Q, Huang, J. | | Deposit date: | 2020-02-19 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine
To Be Published
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4M9T
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4MA0
 | | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with partially hydrolysed ATP | | Descriptor: | ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Tan, K, Zhou, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-15 | | Release date: | 2013-08-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.982 Å) | | Cite: | The crystal structure of phosphoribosylaminoimidazole carboxylase ATPase subunit of Francisella tularensis subsp. tularensis SCHU S4 in complex with partially hydrolysed ATP
To be Published
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5FJW
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4DTC
 | | Crystal Structure of DPP-IV with Compound C5 | | Descriptor: | Dipeptidyl peptidase 4, N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3'-(trifluoromethyl)biphenyl-4-carboxamide | | Authors: | Xiong, B, Zhu, L.R, Chen, D.Q, Zhao, Y.L, Jiang, F, Shen, J.K. | | Deposit date: | 2012-02-21 | | Release date: | 2013-02-27 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of DPP-IV with Compound C5
To be Published
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4LVD
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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6LMI
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, Integrase catalytic, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-25 | | Release date: | 2020-09-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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6LNU
 | | Cryo-EM structure of immature Zika virus | | Descriptor: | Genome polyprotein | | Authors: | Tan, T.Y, Fibriansah, G, Kostyuchenko, V.A, Ng, T.S, Lim, X.X, Lim, X.N, Shi, J, Morais, M.C, Corti, D, Lok, S.M. | | Deposit date: | 2020-01-02 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9 Å) | | Cite: | Capsid protein structure in Zika virus reveals the flavivirus assembly process.
Nat Commun, 11, 2020
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2X4N
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | | Deposit date: | 2010-02-02 | | Release date: | 2010-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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4LWI
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 | | Descriptor: | Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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4DUU
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4DZ3
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8IVQ
 | | Cryo-EM structure of mouse BIRC6, Global map | | Descriptor: | Isoform 2 of Baculoviral IAP repeat-containing protein 6 | | Authors: | Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X. | | Deposit date: | 2023-03-28 | | Release date: | 2024-01-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy.
Nat Commun, 15, 2024
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4LY8
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4MDU
 | | Crystal structure of apo-Annexin (Sm)1 | | Descriptor: | Annexin | | Authors: | Hofmann, A. | | Deposit date: | 2013-08-23 | | Release date: | 2014-02-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and immunological properties of the first annexin from Schistosoma mansoni: insights into the structural integrity of the schistosomal tegument.
Febs J., 281, 2014
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4LP4
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8IYI
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4LPY
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4LR3
 | | Crystal structure of E. coli YfbU at 2.5 A resolution | | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, protein YfbU | | Authors: | Wang, J, Wing, R.A. | | Deposit date: | 2013-07-19 | | Release date: | 2014-04-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Diamonds in the rough: a strong case for the inclusion of weak-intensity X-ray diffraction data.
Acta Crystallogr.,Sect.D, 70, 2014
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4DZM
 | | A de novo designed Coiled Coil CC-Di | | Descriptor: | COILED-COIL PEPTIDE CC-DI | | Authors: | Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2012-03-01 | | Release date: | 2012-08-29 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
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4M0D
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4LWE
 | | Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2 | | Descriptor: | Heat shock protein HSP 90-alpha, N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide | | Authors: | Li, J, Shi, F, Xiong, B, He, J. | | Deposit date: | 2013-07-27 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
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6LMQ
 | | Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6-methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-yl]acetic acid | | Descriptor: | (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase catalytic, SULFATE ION, ... | | Authors: | Sugiyama, S, Iwaki, T, Tamura, Y, Tomita, K, Matsuoka, E, Arita, S, Seki, T, Yoshinaga, T, Kawasuji, T. | | Deposit date: | 2019-12-26 | | Release date: | 2020-09-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel integrase-LEDGF/p75 allosteric inhibitors based on a benzene scaffold.
Bioorg.Med.Chem., 28, 2020
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