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6U4P
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BU of 6u4p by Molmil
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
分子名称: Alpha-hemolysin, SULFATE ION, fos-choline-14
著者Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M.
登録日2019-08-26
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
7SD4
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BU of 7sd4 by Molmil
SARS-CoV-2 Nucleocapsid N-terminal domain (N-NTD) protein
分子名称: Nucleoprotein
著者Sarkar, S, Runge, B, Russell, R.W, Calero, D, Zeinalilathori, S, Quinn, C.M, Lu, M, Calero, G, Gronenborn, A.M, Polenova, T.
登録日2021-09-29
公開日2022-06-08
最終更新日2024-05-15
実験手法SOLID-STATE NMR
主引用文献Atomic-Resolution Structure of SARS-CoV-2 Nucleocapsid Protein N-Terminal Domain.
J.Am.Chem.Soc., 144, 2022
6TYS
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BU of 6tys by Molmil
A potent cross-neutralizing antibody targeting the fusion glycoprotein inhibits Nipah virus and Hendra virus infection
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, 5B3 antibody heavy chain, ...
著者Dang, H.V, Chan, Y.P, Park, Y.J, Snijder, J, Da Silva, S.C, Vu, B, Yan, L, Feng, Y.R, Rockx, B, Geisbert, T, Mire, C.E, Broder, C.B, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-08-09
公開日2019-10-09
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献An antibody against the F glycoprotein inhibits Nipah and Hendra virus infections.
Nat.Struct.Mol.Biol., 26, 2019
6UG2
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C2 symmetric peptide design number 1, Zappy, crystal form 2
分子名称: C2-1, Zappy, crystal form 2, ...
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-25
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
1WRI
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BU of 1wri by Molmil
Crystal Structure of Ferredoxin isoform II from E. arvense
分子名称: BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin II
著者Kurisu, G, Nishiyama, D, Kusunoki, M, Fujikawa, S, Katoh, M, Hanke, G.T, Hase, T, Teshima, K.
登録日2004-10-18
公開日2004-11-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A structural basis of Equisetum arvense ferredoxin isoform II producing an alternative electron transfer with ferredoxin-NADP+ reductase.
J.Biol.Chem., 280, 2005
6TV0
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BU of 6tv0 by Molmil
Serratia spp. cyanase hydratase
分子名称: Cyanate hydratase, GLYCEROL, OXALIC ACID
著者Pederzoli, R, Tarantino, D, Gourlay, L.J, Chaves-Sanjuan, A, Bolognesi, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Detecting the nature and solving the crystal structure of a contaminant protein from an opportunistic pathogen.
Acta Crystallogr.,Sect.F, 76, 2020
1WP9
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BU of 1wp9 by Molmil
Crystal structure of Pyrococcus furiosus Hef helicase domain
分子名称: ATP-dependent RNA helicase, putative, PHOSPHATE ION
著者Nishino, T, Komori, K, Tsuchiya, D, Ishino, Y, Morikawa, K.
登録日2004-08-31
公開日2005-02-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure and Functional Implications of Pyrococcus furiosus Hef Helicase Domain Involved in Branched DNA Processing
Structure, 13, 2005
1WWG
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BU of 1wwg by Molmil
NMR Structure Determined for MLV NC Complex with RNA Sequence UAUCUG
分子名称: 5'-R(P*UP*AP*UP*CP*UP*G)-3', Nucleoprotein p10, ZINC ION
著者Dey, A, York, D, Smalls-Mantey, A, Summers, M.F.
登録日2005-01-05
公開日2005-04-05
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Composition and sequence-dependent binding of RNA to the nucleocapsid protein of Moloney murine leukemia virus(,)
Biochemistry, 44, 2005
1WRU
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BU of 1wru by Molmil
Structure of central hub elucidated by X-ray analysis of gene product 44; baseplate component of bacteriophage Mu
分子名称: 43 kDa tail protein
著者Kondou, Y, Kitazawa, D, Takeda, S, Yamashita, E, Mizuguchi, M, Kawano, K, Tsukihara, T.
登録日2004-10-27
公開日2005-09-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of central hub elucidated by X-ray analysis of gene product 44; baseplate component of bacteriophage Mu
To be Published
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-21
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
1WDK
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BU of 1wdk by Molmil
fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form I (native2)
分子名称: 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, ...
著者Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K.
登録日2004-05-17
公開日2004-07-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
6RZ8
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BU of 6rz8 by Molmil
Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2080365
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid, Cysteinyl leukotriene receptor 2,Soluble cytochrome b562,Cysteinyl leukotriene receptor 2, ...
著者Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
登録日2019-06-12
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors.
Nat Commun, 10, 2019
1WU9
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BU of 1wu9 by Molmil
Crystal structure of the C-terminal domain of the end-binding protein 1 (EB1)
分子名称: Microtubule-associated protein RP/EB family member 1
著者Honnappa, S, John, C.M, Kostrewa, D, Winkler, F.K, Steinmetz, M.O.
登録日2004-12-02
公開日2005-02-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural insights into the EB1-APC interaction
Embo J., 24, 2005
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
4O9X
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BU of 4o9x by Molmil
Crystal Structure of TcdB2-TccC3
分子名称: MERCURY (II) ION, TcdB2, TccC3
著者Meusch, D, Gatsogiannis, C, Efremov, R.G, Lang, A.E, Hofnagel, O, Vetter, I.R, Aktories, K, Raunser, S.
登録日2014-01-03
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Mechanism of Tc toxin action revealed in molecular detail.
Nature, 508, 2014
6UBQ
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BU of 6ubq by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-09-12
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2991 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UCW
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BU of 6ucw by Molmil
Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-17
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
1WYW
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BU of 1wyw by Molmil
Crystal Structure of SUMO1-conjugated thymine DNA glycosylase
分子名称: CHLORIDE ION, G/T mismatch-specific thymine DNA glycosylase, MAGNESIUM ION, ...
著者Baba, D, Maita, N, Jee, J.G, Uchimura, Y, Saitoh, H, Sugasawa, K, Hanaoka, F, Tochio, H, Hiroaki, H, Shirakawa, M.
登録日2005-02-17
公開日2005-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Nature, 435, 2005
7SFM
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BU of 7sfm by Molmil
Mycobacterium tuberculosis Hip1 crystal structure
分子名称: ACETATE ION, GLYCEROL, Hip1
著者Ostrov, D.A, Li, D.
登録日2021-10-04
公開日2022-08-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1).
Biochem.Biophys.Res.Commun., 630, 2022
6UF4
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BU of 6uf4 by Molmil
S2 symmetric peptide design number 4 crystal form 2, Pugsley
分子名称: S2-4, Pusgley crystal form 2
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-23
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
6UF9
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S4 symmetric peptide design number 1, Tim apo form
分子名称: S4-1, Tim apo-form, SULFATE ION
著者Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
登録日2019-09-24
公開日2020-12-02
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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
6UKO
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Structure analysis of full-length mouse bcs1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial chaperone BCS1
著者Xia, D, Esser, L.
登録日2019-10-05
公開日2020-02-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
1WDM
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fatty acid beta-oxidation multienzyme complex from Pseudomonas fragi, form I (native3)
分子名称: 3-ketoacyl-CoA thiolase, ACETYL COENZYME *A, Fatty oxidation complex alpha subunit, ...
著者Ishikawa, M, Tsuchiya, D, Oyama, T, Tsunaka, Y, Morikawa, K.
登録日2004-05-17
公開日2004-07-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for channelling mechanism of a fatty acid beta-oxidation multienzyme complex
Embo J., 23, 2004
7SF3
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SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m
分子名称: (1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Westberg, M, Fernandez, D, Lin, M.Z.
登録日2021-10-02
公開日2022-10-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024

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件を2024-08-21に公開中

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