1TIO
| HIGH PACKING DENSITY FORM OF BOVINE BETA-TRYPSIN IN CYCLOHEXANE | Descriptor: | BENZAMIDINE, CALCIUM ION, CYCLOHEXANE, ... | Authors: | Huang, Q, Zhu, G, Wang, Z, Tang, Q. | Deposit date: | 1998-09-17 | Release date: | 1998-09-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | X-ray studies on two forms of bovine beta-trypsin crystals in neat cyclohexane. Biochim.Biophys.Acta, 1429, 1998
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1WUG
| complex structure of PCAF bromodomain with small chemical ligand NP1 | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | Deposit date: | 2004-12-07 | Release date: | 2005-08-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association J.Am.Chem.Soc., 127, 2005
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1WUM
| Complex structure of PCAF bromodomain with small chemical ligand NP2 | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | Deposit date: | 2004-12-08 | Release date: | 2005-08-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association J.Am.Chem.Soc., 127, 2005
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4DT6
| Co-crystal structure of eIF4E with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ... | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | Deposit date: | 2012-02-20 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction. J.Med.Chem., 55, 2012
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4DN5
| Crystal Structure of NF-kB-inducing Kinase (NIK) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Min, X, Liu, J, Sudom, A, Walker, N.P, Wang, Z. | Deposit date: | 2012-02-08 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Nuclear Factor Kappa B-inducing kinase domain reveals a constitutively active conformation J.Biol.Chem., 287, 2012
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4DUM
| Co-crystal structure of eIF4E with inhibitor | Descriptor: | (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E | Authors: | Min, X, Johnstone, S, Walker, N, Wang, Z. | Deposit date: | 2012-02-22 | Release date: | 2012-04-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction. J.Med.Chem., 55, 2012
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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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4KFN
| Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-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-Toste, 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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4LTS
| Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-23 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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5XE0
| Crystal structure of EV-D68-3Dpol in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein | Authors: | Xie, W, Wang, C, Wang, Z, Li, Q, Wang, C. | Deposit date: | 2017-03-30 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol J. Virol., 91, 2017
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4LWW
| Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-28 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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1M7Q
| Crystal structure of p38 MAP kinase in complex with a dihydroquinazolinone inhibitor | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERAZIN-1-YL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Stelmach, J.E, Liu, L, Patel, S.B, Pivnichny, J.V, Scapin, G, Singh, S, Hop, C.E.C.A, Wang, Z, Cameron, P.M, Nichols, E.A, O'Keefe, S.J, O'Neill, E.A, Schmatz, D.M, Schwartz, C.D, Thompson, C.M, Zaller, D.M, Doherty, J.B. | Deposit date: | 2002-07-22 | Release date: | 2002-12-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase. Bioorg.Med.Chem.Lett., 13, 2003
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8I4Z
| CalA3 with hydrolysis product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.97 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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8I4Y
| CalA3 complex structure with amidation product | Descriptor: | 11-oxidanylidene-11-(1~{H}-pyrrol-2-yl)undecanoic acid, 3-HYDROXYANTHRANILIC ACID, Beta-ketoacyl-acyl-carrier-protein synthase I | Authors: | Wang, J, Wang, Z. | Deposit date: | 2023-01-21 | Release date: | 2023-02-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.84 Å) | Cite: | C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
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6MU1
| Structure of full-length IP3R1 channel bound with Adenophostin A | Descriptor: | Adenophostin A, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L. | Deposit date: | 2018-10-22 | Release date: | 2018-12-05 | Last modified: | 2019-11-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating. Cell Res., 28, 2018
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5UJV
| Crystal structure of FePYR1 in complex with abscisic acid | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, PYR1 | Authors: | Ren, Z, Wang, Z, Zhou, X.E, Hong, Y, Cao, M, Chan, Z, Liu, X, Shi, H, Xu, H.E, Zhu, J.-K. | Deposit date: | 2017-01-19 | Release date: | 2017-11-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure determination and activity manipulation of the turfgrass ABA receptor FePYR1. Sci Rep, 7, 2017
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6O3V
| Crystal structure for RVA-VP3 | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Protein VP3, ... | Authors: | Kumar, D, Yu, X, Wang, Z, Hu, L, Prasad, V. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | 2.7 angstrom cryo-EM structure of rotavirus core protein VP3, a unique capping machine with a helicase activity. Sci Adv, 6, 2020
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8H08
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8H07
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4JR5
| Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, 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, Oh, A, Wang, W, Zak, M, Gunzner-Toste, J, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-03-21 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.906 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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6O3Z
| Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1) | Descriptor: | 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant | Authors: | Min, X, Wang, Z. | Deposit date: | 2019-02-27 | Release date: | 2020-03-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists. Acs Med.Chem.Lett., 11, 2020
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6O6B
| Rotavirus A-VP3 (RVA-VP3) | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, Protein VP3 | Authors: | Kumar, D, Yu, X, Prasad, V, Wang, Z. | Deposit date: | 2019-03-05 | Release date: | 2020-03-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A sub-atomic resolution cryo-EM of full-length Rotavirus A-VP3 (RVA-VP3) To Be Published
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4JNM
| Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | Descriptor: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | Authors: | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | Deposit date: | 2013-03-15 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. Bioorg.Med.Chem.Lett., 23, 2013
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5BXJ
| Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X. | Deposit date: | 2015-06-09 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells J. Hazard. Mater., 307, 2016
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5VT2
| Crystal structure of growth differentiation factor | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | Authors: | Min, X, Wang, Z. | Deposit date: | 2017-05-15 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys. Sci Transl Med, 9, 2017
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