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PDB: 749 results

4N9D
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9C
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Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
Deposit date:2013-10-20
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
5X1T
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PpkA-294
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PpkA-294
Authors:Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
5X1Q
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PpkA-294 with ATP and MnCl2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
5X1S
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BU of 5x1s by Molmil
PpkA-294 with Amppcp
Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, PpkA
Authors:Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W.
Deposit date:2017-01-26
Release date:2018-01-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
4XZC
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BU of 4xzc by Molmil
The crystal structure of Kupe virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4XZE
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BU of 4xze by Molmil
The crystal structure of Hazara virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
4XZA
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BU of 4xza by Molmil
The crystal structure of Erve virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B.
Deposit date:2015-02-04
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins.
J.Virol., 89, 2015
5FGL
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BU of 5fgl by Molmil
Co-crystal Structure of NicR2_Hsp
Descriptor: 4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid, NicR
Authors:Zhang, K, Tang, H, Wu, G, Wang, W, Hu, H, Xu, P.
Deposit date:2015-12-21
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Co-crystal Structure of NicR2_Hsp
To Be Published
4WHG
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BU of 4whg by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 3
Descriptor: 1-(3,4,5-trihydroxyphenyl)octan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
Deposit date:2014-09-22
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WHF
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BU of 4whf by Molmil
Crystal Structure of TR3 LBD in complex with 1-(3,4,5-trihydroxyphenyl)decan-1-one
Descriptor: 1-(3,4,5-trihydroxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Wang, W.J, Wang, Y, Hou, P.P, Wu, Q, Lin, T.W.
Deposit date:2014-09-22
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
4N0B
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BU of 4n0b by Molmil
Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT
Descriptor: ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ...
Authors:Edayathumangalam, R, Wu, R, Garcia, R, Wang, Y, Wang, W, Kreinbring, C.A, Bach, A, Liao, J, Stone, T, Terwilliger, T, Hoang, Q.Q, Belitsky, B.R, Petsko, G.A, Ringe, D, Liu, D.
Deposit date:2013-10-01
Release date:2013-10-30
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
7YRD
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BU of 7yrd by Molmil
histone methyltransferase
Descriptor: DNA (146-MER), Histone H2A.Z, Histone H2B 1.1, ...
Authors:Li, H, Wang, W.Y.
Deposit date:2022-08-09
Release date:2023-08-16
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insight into H4K20 methylation on H2A.Z-nucleosome by SUV420H1.
Mol.Cell, 83, 2023
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
Descriptor: Fz7 binding peptide
Authors:Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
Deposit date:2017-06-22
Release date:2018-04-18
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
4XSQ
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BU of 4xsq by Molmil
Structure of a variable lymphocyte receptor-like protein Bf66946 from Branchiostoma floridae
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, variable lymphocyte receptor-like protein Bf66946
Authors:Cao, D.D, Cheng, W, Jiang, Y.L, Wang, W.J, Li, Q, Chen, Y, Zhou, C.Z.
Deposit date:2015-01-22
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of a variable lymphocyte receptor-like protein from the amphioxus Branchiostoma floridae.
Sci Rep, 6, 2016
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
Descriptor: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf
Authors:zhang, Y, zhang, c, wang, w.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
8YA5
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BU of 8ya5 by Molmil
Mpro from SARS-CoV-2
Descriptor: 3C-like proteinase
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H, Wang, Q.S.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
6LUM
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BU of 6lum by Molmil
Structure of Mycobacterium smegmatis succinate dehydrogenase 2
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ...
Authors:Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z.
Deposit date:2020-01-29
Release date:2020-05-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
8YA1
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BU of 8ya1 by Molmil
HEN EGG WHITE LYSOZYME
Descriptor: Lysozyme C
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
8YA4
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BU of 8ya4 by Molmil
Crystal structure of a lysozyme form hen egg white
Descriptor: Lysozyme C
Authors:Zhang, C.Y, Xu, Q, Wang, W.W, Zhou, H.
Deposit date:2024-02-07
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic data collection using a multilayer monochromator on an undulator beamline at SSRF
To Be Published
5XBV
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BU of 5xbv by Molmil
Crystal structure of Wss1 mutant from saccharomyces cerevisiae
Descriptor: Wss1p, ZINC ION
Authors:Dong, Y.H, Yang, X.Y, Wang, W.J.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:crystal structure of Wss1 mutant from saccharomyces cerevisiae
To Be Published
8W4P
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BU of 8w4p by Molmil
Structure of PSII-FCPII-I/J/K complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, CHLOROPHYLL A, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
8W4O
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BU of 8w4o by Molmil
Structure of PSII-FCPII-G/H complex in the PSII-FCPII supercomplex from Cyclotella meneghiniana
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol, (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, ...
Authors:Shen, L.L, Li, Z.H, Shen, J.R, Wang, W.D.
Deposit date:2023-08-24
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Structural insights into photosystem II supercomplex and trimeric FCP antennae of a centric diatom Cyclotella meneghiniana.
Nat Commun, 14, 2023
4NFT
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BU of 4nft by Molmil
Crystal structure of human lnkH2B-h2A.Z-Anp32e
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member E, Histone H2B type 2-E, Histone H2A.Z
Authors:Shan, S, Pan, L, Mao, Z, Wang, W, Sun, J, Dong, Q, Liang, X, Ding, X, Chen, S, Dai, L, Zhang, Z, Zhu, B, Zhou, Z.
Deposit date:2013-11-01
Release date:2014-04-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Anp32e, a higher eukaryotic histone chaperone directs preferential recognition for H2A.Z
Cell Res., 24, 2014

221051

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