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6RAB
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BU of 6rab by Molmil
Ruminococcus gnavus sialic acid aldolase Wild Type
Descriptor: Putative N-acetylneuraminate lyase
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-05
Release date:2019-09-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, Putative N-acetylneuraminate lyase
Authors:Owen, C.D, Bell, A, Juge, N, Walsh, M.A.
Deposit date:2019-04-12
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.892 Å)
Cite: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
Descriptor: GLYCEROL, GalNAc/Gal-specific lectin
Authors:Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
Deposit date:2015-12-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.08 Å)
Cite: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
Descriptor: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
Authors:Ouyang, S.
Deposit date:2015-12-11
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: 2-amino-2-deoxy-alpha-D-galactopyranose, GLYCEROL, GalNAc/Gal-specific lectin
Authors:Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
Deposit date:2015-12-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: MAGNESIUM ION, Ribosomal protein L11 methyltransferase, putative, ...
Authors:Ouyang, S.
Deposit date:2015-12-11
Release date:2016-06-29
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (2S)-2-hydroxybutanedioic acid, 2-Propen-1-ol, GalNAc/Gal-specific lectin, ...
Authors:Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
Deposit date:2015-12-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 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, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite: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
Descriptor: 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, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: GLYCEROL, Heavy Chain, HtrA1-LoopA peptide, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
Authors:Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite: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
Descriptor: GLYCEROL, Heavy Chain, Light Chain, ...
Authors:Ultsch, M.H, Gerhardy, S.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1
Authors:Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D.
Deposit date:2021-10-18
Release date:2022-09-07
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 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, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 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, ...
Authors:White, S.W, Yun, M.
Deposit date:2020-05-18
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Histone H3, ZINC ION, ZZ-type zinc finger-containing protein 3
Authors:Zhang, Y, Kutateladze, T.G.
Deposit date:2018-07-27
Release date:2018-09-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite: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
Descriptor: (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
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-22
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.379 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-13
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ...
Authors:Liu, J.Y, Li, M.J, Xu, Y.C.
Deposit date:2022-08-06
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite: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
Descriptor: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6E4Y
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BU of 6e4y by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
Descriptor: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: Digeranylgeranylglyceryl phosphate synthase, LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, ...
Authors:Ren, S, Cheng, W.
Deposit date:2020-03-02
Release date:2021-02-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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'), ...
Authors:Pye, V.E, Ballandras-Colas, A, Cherepanov, P.
Deposit date:2022-02-25
Release date:2022-05-11
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
7BV8
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BU of 7bv8 by Molmil
Mature 50S ribosomal subunit from RrmJ knock out E.coli strain
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Wang, W, Li, W.Q, Ge, X.L, Yan, K.G, Mandava, C.S, Sanyal, S, Gao, N.
Deposit date:2020-04-09
Release date:2020-07-01
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite: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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