5O4X
 
 | | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal | | 分子名称: | Lysozyme C | | 著者 | Clabbers, M.T.B, van Genderen, E, Wan, W, Wiegers, E.L, Gruene, T, Abrahams, J.P. | | 登録日 | 2017-05-31 | | 公開日 | 2017-08-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.11 Å) | | 主引用文献 | Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.
Acta Crystallogr D Struct Biol, 73, 2017
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7ELG
 | | LC3B modificated with a covalent probe | | 分子名称: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | | 著者 | Fan, S, Wan, W. | | 登録日 | 2021-04-10 | | 公開日 | 2021-10-13 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.599 Å) | | 主引用文献 | Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4KFN
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | 分子名称: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-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-Toste, 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
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4KFP
 | | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | | 登録日 | 2013-04-27 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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1J97
 | | Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase | | 著者 | Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC) | | 登録日 | 2001-05-24 | | 公開日 | 2001-07-25 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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4WQ6
 | | 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) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Li, D, Wang, W. | | 登録日 | 2014-10-21 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
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9IUZ
 | | Constitutively active mutant(Y276H) of Arabidopsis phytochrome B(phyB) in complex with phytochrome-interacting factor 6(PIF6) | | 分子名称: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome B, Phytochrome-interacting factor 6 | | 著者 | Wang, Z, Wang, W, Zhao, D, Song, Y, Xu, B, Zhao, J, Wang, J. | | 登録日 | 2024-07-22 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Light-induced remodeling of phytochrome B enables signal transduction by phytochrome-interacting factor.
Cell, 2024
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4B5X
 | | Crystal structures of divalent metal dependent pyruvate aldolase (HpaI), mutant D42A | | 分子名称: | 4-HYDROXY-2-OXO-HEPTANE-1,7-DIOATE ALDOLASE, GLYCEROL, PHOSPHATE ION | | 著者 | Coincon, M, Wang, W, Seah, S.Y.K, Sygusch, J. | | 登録日 | 2012-08-07 | | 公開日 | 2012-08-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity
J.Biol.Chem., 287, 2012
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2VG0
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8GZ4
 | | Crystal structure of MPXV phosphatase | | 分子名称: | Dual specificity protein phosphatase H1, PHOSPHATE ION | | 著者 | Yang, H.T, Wang, W, Huang, H.J, Ji, X.Y. | | 登録日 | 2022-09-25 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | | 主引用文献 | Crystal structure of monkeypox H1 phosphatase, an antiviral drug target.
Protein Cell, 14, 2023
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4KNF
 | | Crystal structure of a blue-light absorbing proteorhodopsin double-mutant D97N/Q105L from HOT75 | | 分子名称: | Blue-light absorbing proteorhodopsin, RETINAL | | 著者 | Ran, T, Ozorowski, G, Gao, Y, Wang, W, Luecke, H. | | 登録日 | 2013-05-09 | | 公開日 | 2013-06-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Acta Crystallogr.,Sect.D, 69, 2013
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4KLY
 | | Crystal structure of a blue-light absorbing proteorhodopsin mutant D97N from HOT75 | | 分子名称: | Blue-light absorbing proteorhodopsin, RETINAL | | 著者 | Ran, T, Ozorowski, G, Gao, Y, Wang, W, Luecke, H. | | 登録日 | 2013-05-07 | | 公開日 | 2013-06-05 | | 最終更新日 | 2013-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Cross-protomer interaction with the photoactive site in oligomeric proteorhodopsin complexes.
Acta Crystallogr.,Sect.D, 69, 2013
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8WCK
 | | FCP tetramer in Chaetoceros gracilis | | 分子名称: | (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, Chlorophyll a/b-binding protein, ... | | 著者 | Feng, Y, Li, Z, Zhou, C, Shen, J.-R, Liu, C, Wang, W. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (2.71 Å) | | 主引用文献 | Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
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8WCL
 | | FCP pentamer in Chaetoceros gracilis | | 分子名称: | (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, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, CHLOROPHYLL A, ... | | 著者 | Feng, Y, Li, Z, Zhou, C, Liu, C, Shen, J.-R, Wang, W. | | 登録日 | 2023-09-12 | | 公開日 | 2024-07-31 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Structural and spectroscopic insights into fucoxanthin chlorophyll a/c-binding proteins of diatoms in diverse oligomeric states.
Plant Commun., 2024
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1D6D
 | | SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT. | | 分子名称: | 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3' | | 著者 | Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J. | | 登録日 | 1999-10-13 | | 公開日 | 2000-01-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
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1DCH
 | | CRYSTAL STRUCTURE OF DCOH, A BIFUNCTIONAL, PROTEIN-BINDING TRANSCRIPTION COACTIVATOR | | 分子名称: | DCOH (DIMERIZATION COFACTOR OF HNF-1), SULFATE ION | | 著者 | Endrizzi, J.A, Cronk, J.D, Wang, W, Crabtree, G.R, Alber, T. | | 登録日 | 1995-01-24 | | 公開日 | 1996-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of DCoH, a bifunctional, protein-binding transcriptional coactivator.
Science, 268, 1995
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9BIK
 | | Crystal structure of inhibitor 1 bound to HPK1 | | 分子名称: | (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1 | | 著者 | Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F. | | 登録日 | 2024-04-23 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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6W3K
 | | Structure of unphosphorylated human IRE1 bound to G-9807 | | 分子名称: | 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 | | 著者 | Lammens, A, Wang, W, Ferri, E, Rudolph, J. | | 登録日 | 2020-03-09 | | 公開日 | 2020-12-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands.
Nat Commun, 11, 2020
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9BJ1
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | 分子名称: | (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ... | | 著者 | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | 登録日 | 2024-04-24 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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9B3B
 | | Structure of TDP1 complexed with compound IB09 | | 分子名称: | (8M)-8-{4-(benzylcarbamoyl)-2-[(fluorosulfonyl)oxy]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Lountos, G.T, Zhao, X.Z, Barakat, I, Wang, W, Agama, K, Al Mahmud, M.R, Pommier, Y, Burke, T.R. | | 登録日 | 2024-03-18 | | 公開日 | 2024-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure of TDP1 complexed with compound IB09
To Be Published
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9BI8
 | | Crystal structure of inhibitor GNE-6893 bound to HPK1 | | 分子名称: | (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ... | | 著者 | Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M. | | 登録日 | 2024-04-22 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
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6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | 分子名称: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | | 著者 | Yin, J, Eigenbrot, C, Wang, W. | | 登録日 | 2020-06-28 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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3UV3
 | | Ec_IspH in complex with but-2-ynyl diphosphate (1086) | | 分子名称: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate | | 著者 | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | 登録日 | 2011-11-29 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3URK
 | | IspH in complex with propynyl diphosphate (1061) | | 分子名称: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | | 著者 | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | | 登録日 | 2011-11-22 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UTC
 | | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | | 分子名称: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | 著者 | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | | 登録日 | 2011-11-25 | | 公開日 | 2012-09-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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