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7NFM
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BU of 7nfm by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21K.
分子名称: CC-Type2-(LaId)4-L21K
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6XUU
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BU of 6xuu by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, glucose-bound form
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, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G.
登録日2020-01-21
公開日2021-02-03
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
分子名称: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFH
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BU of 7nfh by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFN
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BU of 7nfn by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N.
分子名称: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
8OXN
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BU of 8oxn by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2023-05-02
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
6XUT
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BU of 6xut by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, ligand-free form
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, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Cerutti, G, Savino, C, Montemiglio, L.C, Sciara, G, Vallone, B.
登録日2020-01-21
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
8OXT
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BU of 8oxt by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2023-05-02
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
8P6F
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BU of 8p6f by Molmil
Crystal structure of PorX-Fj
分子名称: ACETATE ION, MAGNESIUM ION, Response regulator receiver domain-containing protein, ...
著者Leone, P.
登録日2023-05-26
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity.
Sci Rep, 14, 2024
8OYT
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BU of 8oyt by Molmil
Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation
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, H6 nanobody, ...
著者Weckener, M, Naismith, J.H, Owens, R.J.
登録日2023-05-05
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
8PQQ
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BU of 8pqq by Molmil
Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 E88Q Mutant bound to Clofarabine
分子名称: 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, MAGNESIUM ION, Nucleoside 2-deoxyribosyltransferase
著者Tang, P, Harding, C.J, Czekster, M.C.
登録日2023-07-11
公開日2024-02-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Snapshots of the Reaction Coordinate of a Thermophilic 2'-Deoxyribonucleoside/ribonucleoside Transferase.
Acs Catalysis, 14, 2024
6Z0O
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BU of 6z0o by Molmil
Structure of Affimer-NP bound to Crimean-Congo Haemorrhagic Fever Virus Nucleocapsid Protein
分子名称: Affimer-NP, Nucleocapsid
著者Alvarez-Rodriguez, B, Tiede, C, Trinh, C, Tomlinson, D, Edwards, T.A, Barr, J.N.
登録日2020-05-10
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5974 Å)
主引用文献Characterization and applications of a Crimean-Congo hemorrhagic fever virus nucleoprotein-specific Affimer: Inhibitory effects in viral replication and development of colorimetric diagnostic tests.
Plos Negl Trop Dis, 14, 2020
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
分子名称: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
著者Borggraefe, J, Gaussmann, S, Sattler, M.
登録日2023-07-04
公開日2023-08-23
最終更新日2023-08-30
実験手法SOLUTION NMR
主引用文献Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
8PFI
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BU of 8pfi by Molmil
Crystal structure of human TLR8 in complex with compound 34
分子名称: (3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ...
著者Faller, M, Zink, F.
登録日2023-06-16
公開日2023-08-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献Discovery of the TLR7/8 Antagonist MHV370 for Treatment of Systemic Autoimmune Diseases.
Acs Med.Chem.Lett., 14, 2023
6QLT
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BU of 6qlt by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
8PG0
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BU of 8pg0 by Molmil
Human OATP1B3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHOLESTEROL, ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-17
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
8PHW
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BU of 8phw by Molmil
Human OATP1B1
分子名称: CHOLESTEROL HEMISUCCINATE, Fab18 (heavy chain, variable region), ...
著者Ciuta, A.-D, Nosol, K, Kowal, J, Mukherjee, S, Ramirez, A.S, Stieger, B, Kossiakoff, A.A, Locher, K.P.
登録日2023-06-20
公開日2023-09-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure of human drug transporters OATP1B1 and OATP1B3.
Nat Commun, 14, 2023
8PXM
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BU of 8pxm by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
分子名称: (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Chung, C.W.
登録日2023-07-23
公開日2023-10-04
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Design and Characterization of 1,3-Dihydro-2 H -benzo[ d ]azepin-2-ones as Rule-of-5 Compliant Bivalent BET Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8Q4H
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BU of 8q4h by Molmil
a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex
分子名称: (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ...
著者Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L.
登録日2023-08-07
公開日2023-10-18
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structure of a membrane-bound menaquinol:organohalide oxidoreductase.
Nat Commun, 14, 2023
8PNL
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BU of 8pnl by Molmil
Outward-open conformation of a Major Facilitator Superfamily (MFS) transporter MHAS2168, a homologue of Rv1410 from M. tuberculosis, in complex with an alpaca nanobody
分子名称: Nb_H2, Putative triacylglyceride transporter
著者Remm, S, Schoeppe, J, Hutter, C.A.J, Gonda, I, Seeger, M.A.
登録日2023-06-30
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410.
Nat Commun, 14, 2023
8Q1R
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BU of 8q1r by Molmil
mouse Keap1 in complex with stapled peptide
分子名称: Kelch-like ECH-associated protein 1, SODIUM ION, SULFATE ION, ...
著者Kack, H, Wissler, L.
登録日2023-08-01
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction.
Chem Sci, 14, 2023
8Q1Q
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BU of 8q1q by Molmil
mouse Keap1 in complex with stapled peptide
分子名称: Kelch-like ECH-associated protein 1, SULFATE ION, Stapled peptide, ...
著者Kack, H, Wissler, L.
登録日2023-08-01
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.378 Å)
主引用文献A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction.
Chem Sci, 14, 2023
6QLO
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BU of 6qlo by Molmil
Galectin-3C in complex with substituted fluoroaryltriazole monothiogalactoside derivative 1
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[3,4-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6QLQ
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BU of 6qlq by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative 4
分子名称: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-02-01
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.079 Å)
主引用文献Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019

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件を2024-10-09に公開中

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