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5VAL
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BU of 5val by Molmil
BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
分子名称: N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2017-03-27
公開日2017-06-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
6KJI
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BU of 6kji by Molmil
Crystal structure of PsoF with SAH
分子名称: Dual-functional monooxygenase/methyltransferase psoF, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Hara, K, Hashimoto, H, Matsushita, T, Tsunematsu, Y, Watanabe, K.
登録日2019-07-22
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Functional and Structural Analyses oftrans C-Methyltransferase in Fungal Polyketide Biosynthesis.
Biochemistry, 58, 2019
5VAS
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BU of 5vas by Molmil
Pekin duck egg lysozyme isoform III (DEL-III), orthorhombic form
分子名称: GLYCEROL, Lysozyme, PHOSPHATE ION
著者Christie, M, Christ, D, Langley, D.B.
登録日2017-03-27
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
7MNO
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BU of 7mno by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) I656V mutant in complex with Fab fragment
分子名称: Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (6.73 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6DN0
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BU of 6dn0 by Molmil
Retrofitted antibodies with stabilizing mutations: Herceptin scFv mutant with VH K30D and VL S52D.
分子名称: FORMIC ACID, Human Variable Heavy Chain of Herceptin containing VH mutation K30D, Human Variable Light Chain of Herceptin containing VL mutation S52D
著者Langley, D.B, Roome, B, Christ, D.
登録日2018-06-05
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Retrofitting antibodies with stabilizing mutations
To Be Published
6DOV
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BU of 6dov by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 80 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DP8
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BU of 6dp8 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Li+ for 240 s at 21 C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.323 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DPP
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BU of 6dpp by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 240 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
5IHC
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BU of 5ihc by Molmil
MELK in complex with NVS-MELK12B
分子名称: 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
6DO9
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BU of 6do9 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 120 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
5IHR
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BU of 5ihr by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
登録日2016-02-29
公開日2017-04-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
6DOJ
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BU of 6doj by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 5 mM K+ for 120 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7MU5
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BU of 7mu5 by Molmil
Human DCTPP1 bound to Triptolide
分子名称: MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide
著者Hauk, G, Berger, J.M.
登録日2021-05-14
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
To Be Published
6DOX
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BU of 6dox by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 5 mM Mg2+ and 200 mM Rb+ for 360 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
5GJ4
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BU of 5gj4 by Molmil
Structure of NS2B-NS3 Protease from Zika Virus caught after self-cleavage
分子名称: CHLORIDE ION, Serine protease NS3, Serine protease subunit NS2B
著者Phoo, W.W, Li, Y.
登録日2016-06-27
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Structure of the NS2B-NS3 protease from Zika virus after self-cleavage.
Nat Commun, 7, 2016
7MNN
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BU of 7mnn by Molmil
Crystal structure of the N-terminal domain of NUP358/RanBP2 (residues 1-752) T653I mutant in complex with Fab fragment
分子名称: Antibody Fab14 Heavy Chain, Antibody Fab14 Light Chain, E3 SUMO-protein ligase RanBP2
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (6.7 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6DPB
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BU of 6dpb by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 8 mM Mn2+ and 200 mM K+ for 40 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.324 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
5VC8
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BU of 5vc8 by Molmil
Crystal structure of the WHSC1 PWWP1 domain
分子名称: DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ...
著者Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-03-31
公開日2017-06-28
最終更新日2021-08-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021
5VB5
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BU of 5vb5 by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with an inverse agonist and SRC2 peptide
分子名称: N-[(2R)-3-(4-{[3-(4-chlorophenyl)propanoyl]amino}phenyl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-4-methylpentanamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
著者Li, X.
登録日2017-03-28
公開日2017-06-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Structural studies unravel the active conformation of apo ROR gamma t nuclear receptor and a common inverse agonism of two diverse classes of ROR gamma t inhibitors.
J. Biol. Chem., 292, 2017
5VH0
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BU of 5vh0 by Molmil
RHCC in complex with pyrene
分子名称: 1,2-ETHANEDIOL, Tetrabrachion, pyrene
著者McDougall, M, Francisco, O, Stetefeld, J.
登録日2017-04-12
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.055 Å)
主引用文献Proteinaceous Nano container Encapsulate Polycyclic Aromatic Hydrocarbons.
Sci Rep, 9, 2019
5GM2
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BU of 5gm2 by Molmil
Crystal structure of methyltransferase TleD complexed with SAH and teleocidin A1
分子名称: (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one, O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H.
登録日2016-07-12
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD
Biochem.J., 473, 2016
7MO2
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BU of 7mo2 by Molmil
Crystal Structure of the ZnF2 of Nucleoporin NUP153 in complex with Ran-GDP
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
登録日2021-05-01
公開日2022-06-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
6JBA
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BU of 6jba by Molmil
Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with palatinose
分子名称: 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ...
著者Kanaujia, S.P, Chandravanshi, M, Gogoi, P.
登録日2019-01-25
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
6DQR
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BU of 6dqr by Molmil
Crystal structure of Haemophilus influenzae OppA complex with MGG
分子名称: ACETATE ION, MET-GLY-GLY, Periplasmic oligopeptide-binding protein, ...
著者Tanaka, K.J, Pinkett, H.W.
登録日2018-06-11
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
5VLK
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BU of 5vlk by Molmil
Short PCSK9 delta-P' complex with shrunken peptide bearing homo-Arginine
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2 peptide, ACE-TRP-ASN-LEU-VAL-HRG-ILE-GLY-LEU-LEU peptide, CALCIUM ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017

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件を2024-08-28に公開中

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