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6DC4
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BU of 6dc4 by Molmil
RSV-neutralizing human antibody AM22
分子名称: 1,2-ETHANEDIOL, Fab AM22 Heavy Chain, Fab AM22 Light Chain
著者Jones, H.G, McLellan, J.S.
登録日2018-05-04
公開日2019-07-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
5B32
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BU of 5b32 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.3.
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
登録日2016-02-08
公開日2016-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
6DA5
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BU of 6da5 by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
6DAG
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BU of 6dag by Molmil
Human CYP3A4 bound to an inhibitor
分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
著者Sevrioukova, I.F.
登録日2018-05-01
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
分子名称: Suppressor of fused homolog
著者Zhang, Y, Qi, X, Zhang, Z, Wu, G.
登録日2013-05-08
公開日2013-11-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
6DC3
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BU of 6dc3 by Molmil
RSV prefusion F bound to RSD5 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab RSD5-Germline Heavy Chain, Fab RSD5-Germline Light Chain, ...
著者Battles, M.B, McLellan, J.S, Jones, H.J.
登録日2018-05-04
公開日2019-07-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Alternative conformations of a major antigenic site on RSV F.
Plos Pathog., 15, 2019
4O6L
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BU of 4o6l by Molmil
Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide)
分子名称: Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide
著者Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y.
登録日2013-12-22
公開日2014-12-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of TTK kinase domain with an inhibitor: 401498
TO BE PUBLISHED
6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
5WXN
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BU of 5wxn by Molmil
Structure of the LKB1 and 14-3-3 complex
分子名称: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase STK11
著者Ding, S, Shi, Z.B.
登録日2017-01-08
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Structure of the complex of phosphorylated liver kinase B1 and 14-3-3 zeta
Acta Crystallogr F Struct Biol Commun, 73, 2017
4OTN
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BU of 4otn by Molmil
Crystal structure of the C-terminal regulatory domain of murine GCN2
分子名称: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2-alpha kinase 4, SULFATE ION
著者He, H, Georgiadis, M.M.
登録日2014-02-13
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of GCN2 Protein Kinase C-terminal Domains Suggest Regulatory Differences in Yeast and Mammals.
J.Biol.Chem., 289, 2014
5WZR
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BU of 5wzr by Molmil
Alpha-N-acetylgalactosaminidase NagBb from Bifidobacterium bifidum - Gal-NHAc-DNJ complex
分子名称: Alpha-N-acetylgalactosaminidase, CALCIUM ION, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, ...
著者Sato, M, Arakawa, T, Ashida, H, Fushinobu, S.
登録日2017-01-18
公開日2017-06-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献The first crystal structure of a family 129 glycoside hydrolase from a probiotic bacterium reveals critical residues and metal cofactors
J. Biol. Chem., 292, 2017
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
5X0W
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BU of 5x0w by Molmil
Molecular mechanism for the binding between Sharpin and HOIP
分子名称: E3 ubiquitin-protein ligase RNF31, Sharpin
著者Liu, J, Li, F, Cheng, X, Pan, L.
登録日2017-01-23
公開日2017-10-18
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights into SHARPIN-Mediated Activation of HOIP for the Linear Ubiquitin Chain Assembly
Cell Rep, 21, 2017
5X1C
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BU of 5x1c by Molmil
Crystal Structure of Human CRMP-2 without C-terminal Tail
分子名称: Dihydropyrimidinase-related protein 2
著者Nitta, R, Tomabechi, Y, Aoki, M, Shirouzu, M.
登録日2017-01-25
公開日2017-09-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural basis for CRMP2-induced axonal microtubule formation
Sci Rep, 7, 2017
2Q80
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BU of 2q80 by Molmil
Crystal structure of human geranylgeranyl pyrophosphate synthase bound to GGPP
分子名称: GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
著者Kavanagh, K.L, Dunford, J.E, Bunkoczi, G, Smee, C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-06-08
公開日2007-06-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding
J.Biol.Chem., 281, 2006
5X3P
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BU of 5x3p by Molmil
Crystal structure of the UBX domain of human UBXD7
分子名称: UBX domain-containing protein 7
著者Jiang, T, Li, Z, Wang, Y, Xu, M.
登録日2017-02-06
公開日2017-03-22
最終更新日2017-04-05
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5DX0
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BU of 5dx0 by Molmil
Crystal structure of CARM1, sinefungin, and H3 peptide (R17)
分子名称: GLYCEROL, H3 peptide, Histone-arginine methyltransferase CARM1, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-23
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5X4L
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BU of 5x4l by Molmil
Crystal structure of the UBX domain of human UBXD7 in complex with p97 N domain
分子名称: Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 7
著者Jiang, T, Li, Z, Wang, Y, Xu, M.
登録日2017-02-13
公開日2017-03-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Crystal structures of the UBX domain of human UBXD7 and its complex with p97 ATPase
Biochem. Biophys. Res. Commun., 486, 2017
5DWQ
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BU of 5dwq by Molmil
Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17)
分子名称: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
著者Boriack-Sjodin, P.A.
登録日2015-09-22
公開日2015-11-25
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
5XBF
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BU of 5xbf by Molmil
Crystal Structure of Myo7b C-terminal MyTH4-FERM in complex with USH1C PDZ3
分子名称: ACETATE ION, D-MALATE, GLYCEROL, ...
著者Li, J, He, Y, Weck, W.L, Lu, Q, Tyska, M.J, Zhang, M.
登録日2017-03-17
公開日2017-05-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structure of Myo7b/USH1C complex suggests a general PDZ domain binding mode by MyTH4-FERM myosins.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5X3S
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BU of 5x3s by Molmil
Crystal structure of mouse Plk1-PBD in complex with phosphopeptide from HEF1 (799-809)
分子名称: Peptide from Enhancer of filamentation 1, Serine/threonine-protein kinase PLK1
著者Kim, J.H, Shin, S.C, Kim, E.E.
登録日2017-02-07
公開日2017-12-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Phosphorylation of human enhancer filamentation 1 (HEF1) stimulates interaction with Polo-like kinase 1 leading to HEF1 localization to focal adhesions.
J. Biol. Chem., 293, 2018
6DXD
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BU of 6dxd by Molmil
Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant
分子名称: Chalcone synthase
著者Liou, G, Chiang, Y.C, Wang, Y, Weng, J.K.
登録日2018-06-28
公開日2018-10-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Mechanistic basis for the evolution of chalcone synthase catalytic cysteine reactivity in land plants.
J. Biol. Chem., 293, 2018
6DO7
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BU of 6do7 by Molmil
NMR solution structure of wild type hFABP1 with GW7647
分子名称: Fatty acid-binding protein, liver
著者Scanlon, M.J, Mohanty, B, Doak, B.C, Patil, R.
登録日2018-06-09
公開日2019-01-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A ligand-induced structural change in fatty acid-binding protein 1 is associated with potentiation of peroxisome proliferator-activated receptor alpha agonists.
J. Biol. Chem., 294, 2019
5E74
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BU of 5e74 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide
著者Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A.
登録日2015-10-11
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
5X60
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BU of 5x60 by Molmil
Crystal structure of LSD1-CoREST in complex with peptide 9
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Amano, Y, Sato, S, Yokoyama, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2017-02-20
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1.
Bioorg. Med. Chem., 25, 2017

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