4KFO
| Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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6DMB
| Cryo-EM structure of human Ptch1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-06-04 | Release date: | 2018-07-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for the recognition of Sonic Hedgehog by human Patched1. Science, 361, 2018
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3VEK
| Both Zn Fingers of GATA1 Bound to Palindromic DNA Recognition Site, P1 Crystal Form | Descriptor: | DNA (5'-D(*AP*AP*GP*AP*GP*TP*CP*CP*AP*TP*CP*TP*GP*AP*TP*AP*AP*GP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*TP*TP*AP*TP*CP*AP*GP*AP*TP*GP*GP*AP*CP*TP*C)-3'), Erythroid transcription factor, ... | Authors: | Jacques, D.A, Ripin, N, Wilkinson-White, L.E, Guss, J.M, Matthews, J.M. | Deposit date: | 2012-01-09 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | GATA1 directly mediates interactions with closely spaced pseudopalindromic but not distantly spaced double GATA sites on DNA. Protein Sci., 24, 2015
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2ZHJ
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2ZVU
| Crystal structure of rat heme oxygenase-1 in complex with ferrous verdoheme | Descriptor: | 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, FORMIC ACID, Heme oxygenase 1 | Authors: | Sato, H, Sugishima, M, Fukuyama, K, Noguchi, M. | Deposit date: | 2008-11-21 | Release date: | 2009-02-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of rat haem oxygenase-1 in complex with ferrous verdohaem: presence of a hydrogen-bond network on the distal side Biochem.J., 419, 2009
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1JSU
| P27(KIP1)/CYCLIN A/CDK2 COMPLEX | Descriptor: | CYCLIN A, CYCLIN-DEPENDENT KINASE-2, P27, ... | Authors: | Russo, A.A, Jeffrey, P.D, Pavletich, N.P. | Deposit date: | 1996-07-03 | Release date: | 1997-07-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the p27Kip1 cyclin-dependent-kinase inhibitor bound to the cyclin A-Cdk2 complex. Nature, 382, 1996
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2ZHI
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2ZFN
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6DMO
| Cryo-EM structure of human Ptch1 with three mutations L282Q/T500F/P504L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1 | Authors: | Yan, N, Gong, X, Qian, H.W. | Deposit date: | 2018-06-05 | Release date: | 2018-07-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural basis for the recognition of Sonic Hedgehog by human Patched1. Science, 361, 2018
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2ZR5
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2ZR4
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3I9T
| Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithiothreitol (DTT) | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | Deposit date: | 2009-07-13 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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3IQU
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6EHA
| Heme oxygenase 1 in complex with inhibitor | Descriptor: | 1-(3-imidazol-1-ylpropyl)-5-(2-methylpropyl)-4-phenyl-imidazole, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Grudnik, P, Mieczkowski, M. | Deposit date: | 2017-09-12 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. Arch.Biochem.Biophys., 671, 2019
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3IQJ
| Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (10mer) | Descriptor: | 10-mer peptide from RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Ottmann, C, Weyand, M. | Deposit date: | 2009-08-20 | Release date: | 2010-09-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol.Cell.Biol., 30, 2010
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6E33
| Crystal Structure of Pho7-DNA complex | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*GP*AP*AP*TP*GP*TP*CP*CP*GP*AP*AP*GP*GP*AP*T)-3'), DNA (5'-D(*TP*CP*CP*TP*TP*CP*GP*GP*AP*CP*AP*TP*TP*CP*AP*AP*AP*TP*CP*A)-3'), Uncharacterized transcriptional regulatory protein C27B12.11c, ... | Authors: | Garg, A, Goldgur, Y, Shuman, S. | Deposit date: | 2018-07-13 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Distinctive structural basis for DNA recognition by the fission yeast Zn2Cys6 transcription factor Pho7 and its role in phosphate homeostasis. Nucleic Acids Res., 46, 2018
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1LQC
| LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES | Descriptor: | LAC REPRESSOR | Authors: | Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R. | Deposit date: | 1996-08-13 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator. J.Mol.Biol., 259, 1996
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1LFB
| THE X-RAY STRUCTURE OF AN ATYPICAL HOMEODOMAIN PRESENT IN THE RAT LIVER TRANSCRIPTION FACTOR LFB1(SLASH)HNF1 AND IMPLICATIONS FOR DNA BINDING | Descriptor: | LIVER TRANSCRIPTION FACTOR (LFB1) | Authors: | Ceska, T.A, Lamers, M, Monaci, P, Nicosia, A, Cortese, R, Suck, D. | Deposit date: | 1993-06-28 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The X-ray structure of an atypical homeodomain present in the rat liver transcription factor LFB1/HNF1 and implications for DNA binding. EMBO J., 12, 1993
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3I9U
| Crystal structure of the rat heme oxygenase (HO-1) in complex with heme binding dithioerythritol (DTE) | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Matsui, T, Unno, M, Ikeda-Saito, M. | Deposit date: | 2009-07-13 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Dioxygen activation for the self-degradation of heme: reaction mechanism and regulation of heme oxygenase. Inorg.Chem., 49, 2010
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6E69
| Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments | Descriptor: | 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wolan, D.W, Woehl, J.L, Kitamura, S. | Deposit date: | 2018-07-24 | Release date: | 2019-07-24 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase. Proc.Natl.Acad.Sci.USA, 116, 2019
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6E68
| NAMPT co-crystal with inhibitor compound 2 | Descriptor: | (2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Waight, A.B, Neumann, C.S. | Deposit date: | 2018-07-24 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | NAMPT co-crystal with inhibitor compound 2 to be published
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3ALC
| ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR DNA-BINDING DOMAIN FROM ASPERGILLUS NIDULANS | Descriptor: | PROTEIN (ETHANOL REGULON TRANSCRIPTIONAL ACTIVATOR), ZINC ION | Authors: | Cerdan, R, Cahuzac, B, Felenbok, B, Guittet, E. | Deposit date: | 1999-03-11 | Release date: | 2000-05-15 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | NMR solution structure of AlcR (1-60) provides insight in the unusual DNA binding properties of this zinc binuclear cluster protein. J.Mol.Biol., 295, 2000
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6ES2
| Structure of CDX2-DNA(CAA) | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | Authors: | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | Deposit date: | 2017-10-19 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima. Elife, 7, 2018
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3WBL
| Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor | Descriptor: | ACETATE ION, Cyclin-dependent kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | Authors: | Fujino, A, Fukushima, K, Kubota, T, Kosugi, T, Takimoto-Kamimura, M. | Deposit date: | 2013-05-20 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity. J.SYNCHROTRON RADIAT., 20, 2013
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3AJI
| Structure of Gankyrin-S6ATPase photo-cross-linked site-specifically, and incoporated by genetic code expansion | Descriptor: | 26S proteasome non-ATPase regulatory subunit 10, Proteasome (Prosome, macropain) 26S subunit, ... | Authors: | Sato, S, Mimasu, S, Sato, A, Hino, N, Sakamoto, K, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-06-07 | Release date: | 2010-12-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic study of a site-specifically cross-linked protein complex with a genetically incorporated photoreactive amino acid Biochemistry, 50, 2011
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