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3UDH
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Crystal Structure of BACE with Compound 1
分子名称: (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDQ
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BU of 3udq by Molmil
Crystal Structure of BACE with Compound 13
分子名称: (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDJ
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BU of 3udj by Molmil
Crystal Structure of BACE with Compound 5
分子名称: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDR
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BU of 3udr by Molmil
Crystal Structure of BACE with Compound 14
分子名称: 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
2QGM
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BU of 2qgm by Molmil
Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136.
分子名称: Succinoglycan biosynthesis protein
著者Kuzin, A.P, Abashidze, M, Jayaraman, S, Wang, H, Fang, Y, Maglaqui, M, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-06-29
公開日2007-07-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of succinoglycan biosynthesis protein at the resolution 1.7 A. Northeast Structural Genomics Consortium target BcR136.
To be Published
2RA2
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BU of 2ra2 by Molmil
X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A. Northeast Structural Genomics Consortium target StR88A
分子名称: Putative lipoprotein
著者Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-14
公開日2007-10-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-Ray structure of the Q7CPV8 protein from Salmonella typhimurium at the resolution 1.9 A.
To be Published
2RAD
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BU of 2rad by Molmil
Crystal structure of the succinoglycan biosynthesis protein. Northeast structural Genomics Consortium target BcR135
分子名称: Succinoglycan biosynthesis protein
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-14
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the succinoglycan biosynthesis protein.
To be Published
2RB6
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BU of 2rb6 by Molmil
X-Ray structure of the protein Q8EI81. Northeast Structural Genomics Consortium target SoR78A
分子名称: Uncharacterized protein
著者Kuzin, A.P, Su, M, Seetharaman, J, Vorobiev, S.M, Wang, H, Mao, L, Cunningham, K, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-18
公開日2007-10-23
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-Ray structure of the protein Q8EI81.
To be Published
6JAS
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BU of 6jas by Molmil
Human serum transferrin with iron citrate bound
分子名称: CITRIC ACID, FE (III) ION, MALONATE ION, ...
著者Wang, M, Wang, H, Sun, H.
登録日2019-01-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Binding of ruthenium and osmium at non-iron sites of transferrin explains their iron-independent cellular uptake
To Be Published
2HD1
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BU of 2hd1 by Molmil
Crystal structure of PDE9 in complex with IBMX
分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
著者Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
登録日2006-06-19
公開日2006-06-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
6KH4
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BU of 6kh4 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH3
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BU of 6kh3 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6KH5
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BU of 6kh5 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
7VP8
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BU of 7vp8 by Molmil
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
2LG3
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BU of 2lg3 by Molmil
Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT
分子名称: (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')
著者Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
登録日2011-07-19
公開日2012-08-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
2L7K
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BU of 2l7k by Molmil
Solution NMR Structure of protein CD1104.2 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
分子名称: Uncharacterized protein
著者Pulavarti, S.V.S.R.K, Eletsky, A, Mills, J.L, Sukumaran, D.K, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2010-12-13
公開日2011-02-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of CfR130 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
To be Published
2LG2
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BU of 2lg2 by Molmil
Structure of the duplex containing HNE derived (6S,8R,11S) N2-dG cyclic hemiacetal when placed opposite dT
分子名称: (2R,5S)-5-pentyltetrahydrofuran-2-ol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3')
著者Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P.
登録日2011-07-19
公開日2012-08-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
7EVP
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BU of 7evp by Molmil
Cryo-EM structure of the Gp168-beta-clamp complex
分子名称: Beta sliding clamp, Sliding clamp inhibitor
著者Liu, B, Li, S, Liu, Y, Chen, H, Hu, Z, Wang, Z, Gou, L, Zhang, L, Ma, B, Wang, H, Matthews, S, Wang, Y, Zhang, K.
登録日2021-05-21
公開日2022-02-16
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Bacteriophage Twort protein Gp168 is a beta-clamp inhibitor by occupying the DNA sliding channel.
Nucleic Acids Res., 49, 2021
3NV6
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BU of 3nv6 by Molmil
Crystal Structure of Camphor-Bound CYP101D2
分子名称: CAMPHOR, Cytochrome P450, DI(HYDROXYETHYL)ETHER, ...
著者Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-07-08
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
3NRN
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BU of 3nrn by Molmil
Crystal Structure of PF1083 protein from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR223
分子名称: ADENOSINE MONOPHOSPHATE, uncharacterized protein PF1083
著者Seetharaman, J, Su, M, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-06-30
公開日2010-11-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Northeast Structural Genomics Consortium Target PfR223
To be Published
3O6U
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BU of 3o6u by Molmil
Crystal Structure of CPE2226 protein from Clostridium perfringens. Northeast Structural Genomics Consortium Target CpR195
分子名称: uncharacterized protein CPE2226
著者Vorobiev, S, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-07-29
公開日2010-08-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of CPE2226 protein from Clostridium perfringens.
To be Published
3NV5
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BU of 3nv5 by Molmil
Crystal Structure of Cytochrome P450 CYP101D2
分子名称: Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z.
登録日2010-07-08
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
3OH8
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BU of 3oh8 by Molmil
Crystal structure of the nucleoside-diphosphate sugar epimerase from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR91
分子名称: Nucleoside-diphosphate sugar epimerase (SulA family)
著者Vorobiev, S, Lew, S, Kuzin, A, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2010-08-17
公開日2010-09-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Crystal structure of the nucleoside-diphosphate sugar epimerase from Corynebacterium glutamicum. Northeast Structural Genomics Consortium Target CgR91.
To be Published
8HZW
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BU of 8hzw by Molmil
The NMR structure of noursinH11W peptide
分子名称: noursinH11W
著者Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H.
登録日2023-01-09
公開日2023-05-31
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
3P9V
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BU of 3p9v by Molmil
High Resolution Crystal Structure of protein Maqu_3174 from Marinobacter aquaeolei, Northeast Structural Genomics Consortium Target MqR197
分子名称: Uncharacterized protein
著者Kuzin, A, Chen, Y, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-10-18
公開日2010-10-27
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Northeast Structural Genomics Consortium Target MqR197
To be published

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