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6RAB
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BU of 6rab by Molmil
Ruminococcus gnavus sialic acid aldolase Wild Type
分子名称: Putative N-acetylneuraminate lyase
著者Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
登録日2019-04-05
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
6RD1
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BU of 6rd1 by Molmil
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid
分子名称: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase
著者Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
登録日2019-04-12
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Nat Microbiol, 4, 2019
5F8S
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BU of 5f8s by Molmil
Crystal structure of a Crenomytilus grayanus lectin
分子名称: GLYCEROL, GalNAc/Gal-specific lectin
著者Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
登録日2015-12-09
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
5FAD
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BU of 5fad by Molmil
SAH complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicus
分子名称: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
著者Ouyang, S.
登録日2015-12-11
公開日2016-06-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
5F8Y
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BU of 5f8y by Molmil
Crystal structure of a Crenomytilus grayanus lectin in complex with galactosamine
分子名称: 2-amino-2-deoxy-alpha-D-galactopyranose, GLYCEROL, GalNAc/Gal-specific lectin
著者Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
登録日2015-12-09
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
5FA8
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BU of 5fa8 by Molmil
SAM complex with aKMT from the hyperthermophilic archaeon Sulfolobus islandicu
分子名称: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
著者Ouyang, S.
登録日2015-12-11
公開日2016-06-29
最終更新日2016-09-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献aKMT Catalyzes Extensive Protein Lysine Methylation in the Hyperthermophilic Archaeon Sulfolobus islandicus but is Dispensable for the Growth of the Organism
Mol.Cell Proteomics, 15, 2016
5F90
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BU of 5f90 by Molmil
Crystal structure of a Crenomytilus grayanus lectin in complex with Gb3 allyl
分子名称: (2S)-2-hydroxybutanedioic acid, 2-Propen-1-ol, GalNAc/Gal-specific lectin, ...
著者Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
登録日2015-12-09
公開日2016-04-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
7SJP
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BU of 7sjp by Molmil
anti-HtrA1 Fab15H6.v4 bound to HtrA1-LoopA peptide
分子名称: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJO
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BU of 7sjo by Molmil
HtrA1S328A:Fab15H6.v4 complex
分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
著者Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
登録日2021-10-18
公開日2022-09-07
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJM
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BU of 7sjm by Molmil
anti-HtrA1 Fab15H6.v4
分子名称: GLYCEROL, Heavy Chain, Light Chain, ...
著者Ultsch, M.H, Gerhardy, S.
登録日2021-10-18
公開日2022-09-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
7SJN
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BU of 7sjn by Molmil
HtrA1:Fab15H6.v4 complex
分子名称: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
著者Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
登録日2021-10-18
公開日2022-09-07
最終更新日2022-09-21
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration.
Nat Commun, 13, 2022
6X1E
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BU of 6x1e by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5l
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1C
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BU of 6x1c by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5j
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6X1F
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BU of 6x1f by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 5m
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
著者White, S.W, Yun, M.
登録日2020-05-18
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
J.Med.Chem., 64, 2021
6E83
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BU of 6e83 by Molmil
Solution structure of ZZZ3 ZZ domain in complex with histone H3 tail
分子名称: Histone H3, ZINC ION, ZZ-type zinc finger-containing protein 3
著者Zhang, Y, Kutateladze, T.G.
登録日2018-07-27
公開日2018-09-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The ZZ-type zinc finger of ZZZ3 modulates the ATAC complex-mediated histone acetylation and gene activation.
Nat Commun, 9, 2018
3KDI
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BU of 3kdi by Molmil
Structure of (+)-ABA bound PYL2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040
著者Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
登録日2009-10-22
公開日2009-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.379 Å)
主引用文献Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
7YSX
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BU of 7ysx by Molmil
Crystal structure of PDE4D complexed with licoisoflavone A
分子名称: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2022-08-13
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
7YQF
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BU of 7yqf by Molmil
Crystal structure of PDE4D complexed with glycyrrhisoflavone
分子名称: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2022-08-06
公開日2023-07-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
6E4Z
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BU of 6e4z by Molmil
Anti-PCSK9 fab 6E2 bound to the modified N-terminal peptide from PCSK9
分子名称: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6E4Y
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Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
分子名称: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6M31
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BU of 6m31 by Molmil
Structural and Functional Insights into an Archaeal Lipid Synthase
分子名称: Digeranylgeranylglyceryl phosphate synthase, LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, ...
著者Ren, S, Cheng, W.
登録日2020-03-02
公開日2021-02-03
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Functional Insights into an Archaeal Lipid Synthase
Cell Rep, 33, 2020
7Z1Z
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BU of 7z1z by Molmil
MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution
分子名称: DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ...
著者Pye, V.E, Ballandras-Colas, A, Cherepanov, P.
登録日2022-02-25
公開日2022-05-11
最終更新日2022-12-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
7BV8
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Mature 50S ribosomal subunit from RrmJ knock out E.coli strain
分子名称: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Wang, W, Li, W.Q, Ge, X.L, Yan, K.G, Mandava, C.S, Sanyal, S, Gao, N.
登録日2020-04-09
公開日2020-07-01
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Loss of a single methylation in 23S rRNA delays 50S assembly at multiple late stages and impairs translation initiation and elongation.
Proc.Natl.Acad.Sci.USA, 117, 2020

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