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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2KGG
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6CXC
| 3.9A Cryo-EM structure of murine antibody bound at a novel epitope of respiratory syncytial virus fusion protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, Envelope glycoprotein chimera, ... | Authors: | Xie, Q, Wang, Z, Chen, X, Ni, F, Ma, J, Wang, Q. | Deposit date: | 2018-04-02 | Release date: | 2019-07-31 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure basis of neutralization by a novel site II/IV antibody against respiratory syncytial virus fusion protein. Plos One, 14, 2019
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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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2KGI
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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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8WJL
| Cryo-EM structure of 6-subunit Smc5/6 hinge region | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | Authors: | Li, Q, Zhang, J, Zhang, X, Cheng, T, Wang, Z, Jin, D, Chen, Z, Wang, L. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.15 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8WJO
| Cryo-EM structure of 8-subunit Smc5/6 arm region | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ... | Authors: | Li, Q, Zhang, J, Zhang, X, Cheng, T, Wang, Z, Jin, D, Chen, Z, Wang, L. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.04 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8WJN
| Cryo-EM structure of 6-subunit Smc5/6 head region | Descriptor: | Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosomes element 1, Non-structural maintenance of chromosomes element 4, ... | Authors: | Li, Q, Zhang, J, Zhang, X, Cheng, T, Wang, Z, Jin, D, Chen, Z, Wang, L. | Deposit date: | 2023-09-26 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (5.58 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8HQS
| Cryo-EM structure of 8-subunit Smc5/6 head region | Descriptor: | DNA repair protein KRE29, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Wang, Z, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2022-12-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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8I4U
| Cryo-EM structure of 5-subunit Smc5/6 hinge region | Descriptor: | E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6 | Authors: | Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L. | Deposit date: | 2023-01-21 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (6.73 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
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3O7R
| Crystal structure of Ru(p-cymene)/apo-H49AFr | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Takezawa, Y, Bockmann, P, Sugi, N, Wang, Z, Abe, S, Murakami, T, Hikage, T, Erker, G, Watanabe, Y, Kitagawa, S, Ueno, T. | Deposit date: | 2010-07-31 | Release date: | 2011-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Incorporation of organometallic Ru complexes into apo-ferritin cage. J.CHEM.SOC.,DALTON TRANS., 40, 2011
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3O7S
| Crystal structure of Ru(p-cymene)/apo-Fr | Descriptor: | 1,2-ETHANEDIOL, 1-methyl-4-(1-methylethyl)benzene, CADMIUM ION, ... | Authors: | Takezawa, Y, Bockmann, P, Sugi, N, Wang, Z, Abe, S, Murakami, T, Hikage, T, Erker, G, Watanabe, Y, Kitagawa, S, Ueno, T. | Deposit date: | 2010-07-31 | Release date: | 2011-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Incorporation of organometallic Ru complexes into apo-ferritin cage. J.Chem.Soc.,Dalton Trans., 40, 2011
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4RMZ
| Crystal Structure of IRAK-4 | Descriptor: | 3-nitro-N-[1-phenyl-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Johnstone, S, Sudom, A, Liu, J, Walker, N.P, Wang, Z. | Deposit date: | 2014-10-22 | Release date: | 2016-01-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of IRAK-4 kinase in complex with inhibitors: a serine/threonine kinase with tyrosine as a gatekeeper To be Published
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3JAV
| Structure of full-length IP3R1 channel in the apo-state determined by single particle cryo-EM | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Fan, G, Baker, M.L, Wang, Z, Baker, M.R, Sinyagovskiy, P.A, Chiu, W, Ludtke, S.J, Serysheva, I.I. | Deposit date: | 2015-06-30 | Release date: | 2015-10-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Gating machinery of InsP3R channels revealed by electron cryomicroscopy. Nature, 527, 2015
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4L02
| Crystal Structure of SphK1 with inhibitor | Descriptor: | (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1 | Authors: | Min, X, Walker, N, Wang, Z. | Deposit date: | 2013-05-30 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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4N4R
| Structure basis of lipopolysaccharide biogenesis | Descriptor: | CACODYLATE ION, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ... | Authors: | Dong, H, Xiang, Q, Wang, Z, Paterson, N.G, He, C, Zhang, Y, Wang, W, Dong, C. | Deposit date: | 2013-10-08 | Release date: | 2014-06-25 | Last modified: | 2014-07-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for outer membrane lipopolysaccharide insertion. Nature, 511, 2014
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3EQP
| Crystal Structure of Ack1 with compound T95 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-2-({4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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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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3QKV
| Crystal structure of fatty acid amide hydrolase with small molecule compound | Descriptor: | (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1 | Authors: | Min, X, Walker, N.P.C, Wang, Z. | Deposit date: | 2011-02-01 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH). Proc.Natl.Acad.Sci.USA, 108, 2011
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3QJ9
| Crystal structure of fatty acid amide hydrolase with small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 1-{(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one, Fatty-acid amide hydrolase 1, ... | Authors: | Min, X, Walker, N.P.C, Wang, Z. | Deposit date: | 2011-01-28 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH). Proc.Natl.Acad.Sci.USA, 108, 2011
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3EQR
| Crystal Structure of Ack1 with compound T74 | Descriptor: | Activated CDC42 kinase 1, CHLORIDE ION, N~3~-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-N~6~-(4-piperazin-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | Authors: | Liu, J, Wang, Z, Walker, N.P.C. | Deposit date: | 2008-10-01 | Release date: | 2008-12-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3QJ8
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