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7ESX
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BU of 7esx by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip
分子名称: Bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESY
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BU of 7esy by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip
分子名称: Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESZ
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BU of 7esz by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip
分子名称: BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
分子名称: Bacteria factor A, Bacteria factor B
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
1FRY
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BU of 1fry by Molmil
THE SOLUTION STRUCTURE OF SHEEP MYELOID ANTIMICROBIAL PEPTIDE, RESIDUES 1-29 (SMAP29)
分子名称: MYELOID ANTIMICROBIAL PEPTIDE
著者Tack, B.F, Sawai, M.V, Kearney, W.R, Robertson, A.D, Sherman, M.A, Wang, W, Hong, T, Boo, L.M, Wu, H, Waring, A.J, Lehrer, R.I.
登録日2000-09-07
公開日2002-03-08
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献SMAP-29 has two LPS-binding sites and a central hinge.
Eur.J.Biochem., 269, 2002
3ZEE
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BU of 3zee by Molmil
Electron cyro-microscopy helical reconstruction of Par-3 N terminal domain
分子名称: PARTITIONING DEFECTIVE 3 HOMOLOG
著者Zhang, Y, Wang, W, Chen, J, Zhang, K, Gao, F, Gong, W, Zhang, M, Sun, F, Feng, W.
登録日2012-12-05
公開日2013-10-16
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural Insights Into the Intrinsic Self-Assembly of Par-3 N-Terminal Domain.
Structure, 21, 2013
6LUM
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BU of 6lum by Molmil
Structure of Mycobacterium smegmatis succinate dehydrogenase 2
分子名称: (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, ...
著者Gao, Y, Gong, H, Zhou, X, Xiao, Y, Wang, W, Ji, W, Wang, Q, Rao, Z.
登録日2020-01-29
公開日2020-05-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
Nat Commun, 11, 2020
4ZCB
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BU of 4zcb by Molmil
Human CRBPII mutant - Y60W dimer
分子名称: Retinol-binding protein 2
著者Nossoni, Z, Assar, Z, Wang, W, Geiger, J, Borhan, B.
登録日2015-04-15
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
6XDF
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BU of 6xdf by Molmil
Crystal structure of IRE1a in complex with G-4100
分子名称: 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide, SODIUM ION, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Steinbacher, S, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
6XDD
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BU of 6xdd by Molmil
Crystal structure of IRE1 in complex with G-3053
分子名称: 4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide, Serine/threonine-protein kinase/endoribonuclease IRE1
著者Ackerly-Wallweber, H, Wang, W.
登録日2020-06-10
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of BRaf-Sparing Amino-Thienopyrimidines with Potent IRE1 alpha Inhibitory Activity.
Acs Med.Chem.Lett., 11, 2020
4ZJ0
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BU of 4zj0 by Molmil
The crystal structure of monomer Q108K:K40L:Y60W CRBPII bound to all-trans-retinal
分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2
著者Nossoni, Z, Assar, Z, Wang, W, Vasileiou, C, Borhan, B, Geiger, J.H.
登録日2015-04-28
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Domain-Swapped Dimers of Intracellular Lipid-Binding Proteins: Evidence for Ordered Folding Intermediates.
Structure, 24, 2016
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
5DEY
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BU of 5dey by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound G-5555
分子名称: 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase PAK 1
著者Oh, A, Tam, C, Wang, W.
登録日2015-08-26
公開日2016-01-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-04-27
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
分子名称: 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
著者zhang, Y, zhang, c, wang, w.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4N4R
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BU of 4n4r by Molmil
Structure basis of lipopolysaccharide biogenesis
分子名称: CACODYLATE ION, LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ...
著者Dong, H, Xiang, Q, Wang, Z, Paterson, N.G, He, C, Zhang, Y, Wang, W, Dong, C.
登録日2013-10-08
公開日2014-06-25
最終更新日2014-07-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for outer membrane lipopolysaccharide insertion.
Nature, 511, 2014
4N0B
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BU of 4n0b by Molmil
Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of GabT
分子名称: ACETYL GROUP, CALCIUM ION, HTH-type transcriptional regulatory protein GabR, ...
著者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.
登録日2013-10-01
公開日2013-10-30
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LMQ
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BU of 4lmq by Molmil
Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12
分子名称: Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain
著者Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N.
登録日2013-07-10
公開日2013-08-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.773 Å)
主引用文献Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
4MGR
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BU of 4mgr by Molmil
The crystal structure of Bacillus subtilis GabR, an autorepressor and PLP- and GABA-dependent transcriptional activator of gabT
分子名称: ACETATE ION, HTH-type transcriptional regulatory protein GabR, IMIDAZOLE, ...
著者Wu, R, Edayathumangalam, 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.
登録日2013-08-28
公開日2013-10-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of Bacillus subtilis GabR, an autorepressor and transcriptional activator of gabT.
Proc.Natl.Acad.Sci.USA, 110, 2013
4G5S
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BU of 4g5s by Molmil
Structure of LGN GL3/Galphai3 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4QP1
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BU of 4qp1 by Molmil
Crystal structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
分子名称: IMIDAZOLE, Mitogen-activated protein kinase 1, N-BENZYL-9H-PURIN-6-AMINE
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP9
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BU of 4qp9 by Molmil
Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5K4I
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BU of 5k4i by Molmil
Crystal Structure of ERK2 in complex with compound 22
分子名称: 1,2-ETHANEDIOL, 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2016-05-20
公開日2016-07-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
分子名称: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.332 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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BU of 7r9p by Molmil
Crystal structure of HPK1 in complex with compound 14
分子名称: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
著者Wu, P, Lehoux, I, Wang, W.
登録日2021-06-29
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022

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