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4YFW
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BU of 4yfw by Molmil
Structural basis of glycan recognition in neonate-specific rotaviruses
分子名称: Outer capsid protein VP4
著者Hu, L, Prasad, B.V.V.
登録日2015-02-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.
Nat Commun, 6, 2015
4YG6
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BU of 4yg6 by Molmil
Structural basis of glycan recognition in neonate-specific rotaviruses
分子名称: Outer capsid protein VP8*, PHOSPHATE ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, L, Prasad, B.V.V.
登録日2015-02-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.
Nat Commun, 6, 2015
2CDY
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BU of 2cdy by Molmil
Manganese Superoxide Dismutase (Mn-SOD) from Deinococcus radiodurans
分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN]
著者Dennis, R, Micossi, E, McCarthy, J, Moe, E, Gordon, E, Leonard, G, McSweeney, S.
登録日2006-01-31
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the manganese superoxide dismutase from Deinococcus radiodurans in two crystal forms.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 62, 2006
4YE9
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BU of 4ye9 by Molmil
The crystal structure of the G45V mutant of human GlnRS
分子名称: Glutamine--tRNA ligase
著者Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
登録日2015-02-23
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
4YI5
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BU of 4yi5 by Molmil
Crystal structure of Gpb in complex with 4b
分子名称: Glycogen phosphorylase, muscle form, INOSINIC ACID, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
4YCD
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BU of 4ycd by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154F
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
著者Kappock, T.J, Sullivan, K.L.
登録日2015-02-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.643 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
5WKM
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BU of 5wkm by Molmil
2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
5D9L
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BU of 5d9l by Molmil
Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
分子名称: 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
4WT2
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BU of 4wt2 by Molmil
Co-crystal Structure of MDM2 in Complex with AM-7209
分子名称: 4-({[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetyl}amino)-2-methoxybenzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M.
登録日2014-10-30
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of AM-7209, a Potent and Selective 4-Amidobenzoic Acid Inhibitor of the MDM2-p53 Interaction.
J.Med.Chem., 57, 2014
4YE8
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BU of 4ye8 by Molmil
The crystal structure of the Y57H mutant of human GlnRS
分子名称: Glutamine--tRNA ligase
著者Ognjenovic, J, Wu, J, Ling, J, Simonovic, M.
登録日2015-02-23
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献The crystal structure of human GlnRS provides basis for the development of neurological disorders.
Nucleic Acids Res., 44, 2016
6IIW
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BU of 6iiw by Molmil
Crystal structure of human UHRF1 PHD finger in complex with PAF15
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, E3 ubiquitin-protein ligase UHRF1, PCNA-associated factor, ...
著者Arita, K, Kori, S.
登録日2018-10-07
公開日2019-10-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Two distinct modes of DNMT1 recruitment ensure stable maintenance DNA methylation.
Nat Commun, 11, 2020
8BY5
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BU of 8by5 by Molmil
C. elegans TOFU-6 eTUDOR TOFU-1 peptide complex
分子名称: CHLORIDE ION, Embryonic developmental protein tofu-6, GLYCEROL, ...
著者Ketting, R, Falk, S.
登録日2022-12-12
公開日2023-08-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献piRNA processing by a trimeric Schlafen-domain nuclease.
Nature, 622, 2023
3J03
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BU of 3j03 by Molmil
Lidless Mm-cpn in the closed state with ATP/AlFx
分子名称: Lidless Mm-cpn
著者Zhang, J, Ma, B, DiMaio, F, Douglas, N.R, Joachimiak, L, Baker, D, Frydman, J, Levitt, M, Chiu, W.
登録日2011-02-10
公開日2011-05-18
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM structure of a group II chaperonin in the prehydrolysis ATP-bound state leading to lid closure.
Structure, 19, 2011
4YI3
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BU of 4yi3 by Molmil
Crystal structure of Gpb in complex with 4a
分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
著者Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D.
登録日2015-02-27
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors.
Curr Top Med Chem, 15, 2015
7QKS
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BU of 7qks by Molmil
Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris in apo conformation at 3.1 A resolution
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Plasma membrane ATP-binding cassette transporter required for the export of a-factor
著者Schleker, E.S.M, Reinhart, C.
登録日2021-12-18
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
4YCC
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BU of 4ycc by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154L mutation
分子名称: 1,2-ETHANEDIOL, ACETATE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
著者Kappock, T.J, Sullivan, K.L.
登録日2015-02-19
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
7QKR
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BU of 7qkr by Molmil
Cryo-EM structure of ABC transporter STE6-2p from Pichia pastoris with Verapamil at 3.2 A resolution
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Dexverapamil, MAGNESIUM ION, ...
著者Schleker, E.S.M, Reinhart, C.
登録日2021-12-18
公開日2022-10-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and functional investigation of ABC transporter STE6-2p from Pichia pastoris reveals unexpected interaction with sterol molecules.
Proc.Natl.Acad.Sci.USA, 119, 2022
4YFZ
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BU of 4yfz by Molmil
Structural basis of glycan recognition in neonate-specific rotaviruses
分子名称: Outer capsid protein VP4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hu, L, Prasad, B.V.V.
登録日2015-02-25
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of glycan specificity in neonate-specific bovine-human reassortant rotavirus.
Nat Commun, 6, 2015
4YHF
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BU of 4yhf by Molmil
Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor
分子名称: (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Paavilainen, V.O, McFarland, J.M, Taunton, J.
登録日2015-02-27
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat.Chem.Biol., 11, 2015
6NZM
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BU of 6nzm by Molmil
Brutons tyrosine kinase in complex with compound 50.
分子名称: 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK
著者Marcotte, D.J.
登録日2019-02-14
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens.
Bioorg.Med.Chem., 27, 2019
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
6QM8
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BU of 6qm8 by Molmil
Leishmania tarentolae proteasome 20S subunit apo structure
分子名称: Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者Rowland, P, Goswami, P.
登録日2019-02-01
公開日2019-04-17
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
4O3V
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BU of 4o3v by Molmil
Crystal structure of a VirB8-like protein of type IV secretion system from Rickettsia typhi
分子名称: S,R MESO-TARTARIC ACID, VirB8-like protein of type IV secretion system
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-18
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Insight into How Bacteria Prevent Interference between Multiple Divergent Type IV Secretion Systems.
MBio, 6, 2015
6QM7
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BU of 6qm7 by Molmil
Leishmania tarentolae proteasome 20S subunit complexed with GSK3494245
分子名称: Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ...
著者Rowland, P, Goswami, P.
登録日2019-02-01
公開日2019-04-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
4ZDP
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BU of 4zdp by Molmil
The crystal structure of Y334C mutant of human SepSecS in complex with selenocysteine tRNA (tRNASec)
分子名称: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, O-phosphoseryl-tRNA(Sec) selenium transferase, PHOSPHATE ION, ...
著者French, R.L, Simonovic, M.
登録日2015-04-17
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Structural basis for early-onset neurological disorders caused by mutations in human selenocysteine synthase.
Sci Rep, 6, 2016

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