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5C9C
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BU of 5c9c by Molmil
CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND
分子名称: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf
著者Edwards, T, Abendroth, J, Chun, L.
登録日2015-06-26
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
6NS5
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BU of 6ns5 by Molmil
Crystal structure of fungal lipoxygenase from Fusarium graminearum. Second C2 crystal form.
分子名称: FE (II) ION, lipoxygenase
著者Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E.
登録日2019-01-24
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere.
Protein Sci., 28, 2019
4PBQ
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BU of 4pbq by Molmil
CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM HAEMOPHILUS INFLUENZAE RdAW (HICG_00826, TARGET EFI-510123) WITH BOUND L-GULONATE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, L-gulonate, ...
著者Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-04-13
公開日2014-05-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
5HOE
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BU of 5hoe by Molmil
Crystal structrue of Est24, a carbohydrate acetylesterase from Sinorhizobium meliloti
分子名称: HEXAETHYLENE GLYCOL, Hydrolase, PHOSPHATE ION
著者Oh, C, Ryu, B.H, An, D.R, Nguyen, D.D, Yoo, W, Kim, T, Ngo, D.T, Kim, H.S, Park, J.S, Kim, K.K, Kim, T.D.
登録日2016-01-19
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Biochemical Characterization of an Octameric Carbohydrate Acetylesterase from Sinorhizobium meliloti.
Febs Lett., 590, 2016
4PDG
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BU of 4pdg by Molmil
Crystal structure of a complex between an inhibited LlFpg and a THF containing DNA
分子名称: 2-sulfanyl-1,9-dihydro-6H-purin-6-one, DNA (5'-D(*CP*TP*CP*TP*TP*TP*(3DR)P*TP*TP*TP*CP*TP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*GP*A)-3'), ...
著者Coste, F, Castaing, B.
登録日2014-04-18
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Zinc finger oxidation of Fpg/Nei DNA glycosylases by 2-thioxanthine: biochemical and X-ray structural characterization.
Nucleic Acids Res., 42, 2014
6Q1I
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BU of 6q1i by Molmil
GH5-4 broad specificity endoglucanase from Clostrdium longisporum
分子名称: Endoglucanase A
著者Bianchetti, C.M, Bingman, C.A, Fox, B.G.
登録日2019-08-04
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
5FC6
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BU of 5fc6 by Molmil
Murine SMPDL3A in complex with ADP analog AMPCP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3a, ...
著者Gorelik, A, Illes, K, Superti-Furga, G, Nagar, B.
登録日2015-12-15
公開日2016-01-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.658 Å)
主引用文献Structural Basis for Nucleotide Hydrolysis by the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3A.
J.Biol.Chem., 291, 2016
7PRN
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BU of 7prn by Molmil
E1M, D97A, E99A MUTANT OF RH. BLASTICA PORIN
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PORIN
著者Maveyraud, L, Schmid, B, Schulz, G.E.
登録日1998-06-12
公開日1998-08-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Porin mutants with new channel properties.
Protein Sci., 7, 1998
6XWX
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BU of 6xwx by Molmil
Crystal structure of the Tof1-Csm3 complex
分子名称: Chromosome segregation in meiosis protein, Uncharacterized protein,Uncharacterized protein
著者Grabarczyk, D.B.
登録日2020-01-24
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structure and interactions of the Tof1-Csm3 (Timeless-Tipin) fork protection complex.
Nucleic Acids Res., 48, 2020
4P14
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BU of 4p14 by Molmil
Crystal structure of Canavalia brasiliensis (ConBr) complexed with adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ...
著者Delatorre, P, Rocha, B.A.M, Silva-Filho, J.C, Teixeira, C.S, Cavada, B.S, Nascimento, K.S, Neto, I.L.B, Nobrega, R.B, Nagano, C.S, Sampaio, A.H, Holanda, E, Leal, R.B.
登録日2014-02-24
公開日2015-04-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Canavalia brasiliensis (ConBr) complexed with adenine
To Be Published
5CDE
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BU of 5cde by Molmil
R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris
分子名称: Proline dipeptidase, SULFATE ION, ZINC ION
著者Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.
登録日2015-07-03
公開日2016-09-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献R372A mutant of Xaa-Pro dipeptidase from Xanthomonas campestris at 1.85 Angstrom resolution
To Be Published
7RLH
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BU of 7rlh by Molmil
Cryo-EM structure of human p97-D592N mutant bound to ATPgS.
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
7OMS
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BU of 7oms by Molmil
Bs164 in complex with mannocyclophellitol aziridine
分子名称: (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J.
登録日2021-05-24
公開日2022-02-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
7ORJ
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BU of 7orj by Molmil
La Crosse virus polymerase at transcription capped RNA cleavage stage
分子名称: 5' capped RNA, ADENOSINE-5'-TRIPHOSPHATE, RNA (5'-R(P*AP*CP*GP*AP*GP*UP*GP*UP*CP*GP*UP*AP*CP*CP*AP*AP*G)-3'), ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
6XQE
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BU of 6xqe by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with sarecycline, UAA-mRNA, and deacylated P-site tRNA at 3.00A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Batool, Z, Lomakin, I.B, Bunick, C.G, Polikanov, Y.S.
登録日2020-07-09
公開日2020-08-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Sarecycline interferes with tRNA accommodation and tethers mRNA to the 70S ribosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
7ORI
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BU of 7ori by Molmil
La Crosse virus polymerase at replication late-elongation stage
分子名称: La Crosse virus polymerase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
7RLG
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BU of 7rlg by Molmil
Cryo-EM structure of human p97-D592N mutant bound to ADP.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
分子名称: Antibody C57, Heavy Chain, Light Chain, ...
著者Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
登録日2020-01-28
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.20116425 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
7ORN
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BU of 7orn by Molmil
La Crosse virus polymerase at replication initiation stage
分子名称: ADENOSINE-5'-TRIPHOSPHATE, La Crosse virus polymerase, MAGNESIUM ION, ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
5FJ3
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BU of 5fj3 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ...
著者Li, H, Poulos, T.L.
登録日2015-10-06
公開日2015-10-28
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
7ORL
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BU of 7orl by Molmil
La Crosse virus polymerase at transcription initiation stage
分子名称: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
7ORM
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BU of 7orm by Molmil
La Crosse virus polymerase at transcription early-elongation stage
分子名称: MAGNESIUM ION, RNA (5'-R(P*AP*AP*AP*GP*UP*AP*CP*AP*CP*UP*AP*CP*U)-3'), RNA (5'-R(P*AP*CP*GP*AP*GP*UP*GP*UP*CP*GP*UP*AP*CP*C)-3'), ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
7ORK
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BU of 7ork by Molmil
La Crosse virus polymerase in transcription mode with cleaved capped RNA entering the polymerase active site
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-D(*(GTG))-R(P*A)-3'), ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
7ORO
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BU of 7oro by Molmil
La Crosse virus polymerase at replication early-elongation stage
分子名称: La Crosse virus polymerase, MAGNESIUM ION, RNA (5'-R(P*AP*CP*GP*AP*GP*UP*GP*UP*CP*GP*UP*AP*CP*C)-3'), ...
著者Arragain, B, Durieux Trouilleton, Q, Baudin, F, Cusack, S, Schoehn, G, Malet, H.
登録日2021-06-06
公開日2022-02-16
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural snapshots of La Crosse virus polymerase reveal the mechanisms underlying Peribunyaviridae replication and transcription.
Nat Commun, 13, 2022
7RLA
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BU of 7rla by Molmil
Cryo-EM structure of human p97-R191Q mutant bound to ATPgS.
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S.
登録日2021-07-23
公開日2021-09-22
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation.
J.Biol.Chem., 297, 2021

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