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4N9E
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BU of 4n9e by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者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.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
5VEW
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BU of 5vew by Molmil
Structure of the human GLP-1 receptor complex with PF-06372222
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ...
著者Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
登録日2017-04-05
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
5VEX
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Structure of the human GLP-1 receptor complex with NNC0640
分子名称: 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera
著者Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C.
登録日2017-04-05
公開日2017-05-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators.
Nature, 546, 2017
6QGK
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Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound
分子名称: 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGD
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BU of 6qgd by Molmil
Structure of human Mcl-1 in complex with thienopyrimidine inhibitor
分子名称: 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
4N9B
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BU of 4n9b by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者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, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X.
登録日2013-10-20
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.859 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
4N9D
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BU of 4n9d by Molmil
Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-10-20
公開日2014-02-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 24, 2014
1PDQ
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BU of 1pdq by Molmil
Polycomb chromodomain complexed with the histone H3 tail containing trimethyllysine 27.
分子名称: Histone H3.3, Polycomb protein
著者Fischle, W, Wang, Y, Jacobs, S.A, Kim, Y, Allis, C.D, Khorasanizadeh, S.
登録日2003-05-20
公開日2003-08-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Molecular basis for the discrimination of repressive methyl-lysine marks in histone H3 by Polycomb and HP1 chromodomains
Genes Dev., 17, 2003
4KZI
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BU of 4kzi by Molmil
Crystal Structure of TR3 LBD in complex with DPDO
分子名称: 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-05-30
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
5G06
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BU of 5g06 by Molmil
Cryo-EM structure of yeast cytoplasmic exosome
分子名称: EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ...
著者Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W.
登録日2016-03-17
公開日2016-06-15
最終更新日2017-08-02
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
4KZJ
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BU of 4kzj by Molmil
Crystal Structure of TR3 LBD L449W Mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-05-30
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
4KZM
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BU of 4kzm by Molmil
Crystal Structure of TR3 LBD S553A Mutant
分子名称: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-05-30
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
3K3N
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BU of 3k3n by Molmil
Crystal structure of the catalytic core domain of human PHF8
分子名称: FE (II) ION, PHD finger protein 8
著者Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
登録日2009-10-03
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
5DQU
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BU of 5dqu by Molmil
Crystal Structure of Cas-DNA-10 complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*TP*TP*TP*T)-3'), ...
著者Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
登録日2015-09-15
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
3K3O
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Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8
著者Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
登録日2009-10-03
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010
5DQT
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Crystal Structure of Cas-DNA-22 complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (33-MER), ...
著者Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
登録日2015-09-15
公開日2015-11-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
5DLJ
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BU of 5dlj by Molmil
Crystal Structure of Cas-DNA-N1 complex
分子名称: 39-mer DNA N1-F, 39-mer DNA N1-R, CRISPR-associated endonuclease Cas1, ...
著者Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
登録日2015-09-05
公開日2015-11-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
5DQZ
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BU of 5dqz by Molmil
Crystal Structure of Cas-DNA-PAM complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (36-MER), ...
著者Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y.
登録日2015-09-15
公開日2015-11-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems.
Cell, 163, 2015
6O20
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Cryo-EM structure of TRPV5 with calmodulin bound
分子名称: CALCIUM ION, Calmodulin, Transient receptor potential cation channel subfamily V member 5
著者Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
登録日2019-02-22
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O1N
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Cryo-EM structure of TRPV5 (1-660) in nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 5
著者Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
登録日2019-02-21
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O1U
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Cryo-EM structure of TRPV5 W583A in nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 5
著者Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
登録日2019-02-21
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O1P
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BU of 6o1p by Molmil
Cryo-EM structure of full length TRPV5 in nanodisc
分子名称: Transient receptor potential cation channel subfamily V member 5
著者Dang, S, van Goor, M.K, Asarnow, D, Wang, Y, Julius, D, Cheng, Y, van der Wijst, J.
登録日2019-02-21
公開日2019-04-24
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insight into TRPV5 channel function and modulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7VP8
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Crystal structure of ferritin from Ureaplasma urealyticum
分子名称: CHLORIDE ION, FE (III) ION, Ferritin-like diiron domain-containing protein
著者Wang, W, Liu, X, Wang, Y, Fu, D, Wang, H.
登録日2021-10-15
公開日2022-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Distinct structural characteristics define a new subfamily of Mycoplasma ferritin
Chin.Chem.Lett., 33, 2022
4KPY
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DNA binding protein and DNA complex structure
分子名称: DNA (5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3'), DNA (5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), ...
著者Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y.
登録日2013-05-14
公開日2014-01-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage.
Proc.Natl.Acad.Sci.USA, 111, 2014

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