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6SSH
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BU of 6ssh by Molmil
Structure of the TSC2 GAP domain
分子名称: 1,2-ETHANEDIOL, GTPase activator-like protein
著者Hansmann, P, Kiontke, S, Kummel, D.
登録日2019-09-06
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the TSC2 GAP Domain: Mechanistic Insight into Catalysis and Pathogenic Mutations.
Structure, 28, 2020
7F8T
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BU of 7f8t by Molmil
Re-refinement of the 2XRY X-ray structure of archaeal class II CPD photolyase from Methanosarcina mazei
分子名称: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-07-02
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
3OOZ
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BU of 3ooz by Molmil
Bace1 in complex with the aminohydantoin Compound 102
分子名称: (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M.
登録日2010-08-31
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability
Bioorg.Med.Chem.Lett., 20, 2010
5ZS3
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BU of 5zs3 by Molmil
Small heat shock protein from M. marinum:Form-1
分子名称: CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ...
著者Bhandari, S, Suguna, K.
登録日2018-04-27
公開日2019-01-30
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZS6
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BU of 5zs6 by Molmil
Dodecameric structure of a small Heat Shock Protein from Mycobacterium marinum M: Form-2
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLY-ARG-LEU-LEU, ...
著者Bhandari, S, Suguna, K.
登録日2018-04-28
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.81191349 Å)
主引用文献Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
5ZUL
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BU of 5zul by Molmil
Small heat shock protein from Mycobacterium marinum M : Form-3
分子名称: Small heat shock protein
著者Bhandari, S, Suguna, K.
登録日2018-05-08
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
3S7L
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BU of 3s7l by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
4XHC
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BU of 4xhc by Molmil
rhamnosidase from Klebsiella oxytoca with rhamnose bound
分子名称: Alpha-L-rhamnosidase, SULFATE ION, alpha-L-rhamnopyranose
著者O'Neill, E.O, Stevenson, C.E.M, Patterson, M.J, Rejzek, M, Chauvin, A, Lawson, D.M, Field, R.A.
登録日2015-01-05
公開日2015-04-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of a novel two domain GH78 family alpha-rhamnosidase from Klebsiella oxytoca with rhamnose bound.
Proteins, 83, 2015
3S7M
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BU of 3s7m by Molmil
Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors
分子名称: (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Chopra, R, Olland, A, Svenson, K.
登録日2011-05-26
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region.
Bioorg.Med.Chem.Lett., 21, 2011
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Rogala, K.B, Sabatini, D.M.
登録日2019-08-29
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
6UPU
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BU of 6upu by Molmil
Crystal structure of the Orientia tsutsugamushi OtDUB in complex with three molecules of ubiquitin
分子名称: ULP_PROTEASE domain-containing protein, Ubiquitin
著者Lim, C.S, Ronau, J.A, Xiong, Y.
登録日2019-10-18
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
6UPS
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BU of 6ups by Molmil
Crystal structure of the deubiquitylase domain from the Orientia tsutsugamushi protein OTT_1962 (OtDUB)
分子名称: ULP_PROTEASE domain-containing protein
著者Ronau, J.A, Lim, C.S, Xiong, Y.
登録日2019-10-18
公開日2020-04-01
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
7PNB
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BU of 7pnb by Molmil
Sulfolobus acidocaldarius 0406 filament.
分子名称: 6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sulfolobus acidocaldarius 0406 filament., beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Isupov, M.N, Gaines, M, Daum, B.
登録日2021-09-06
公開日2022-09-14
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Electron cryo-microscopy reveals the structure of the archaeal thread filament.
Nat Commun, 13, 2022
3C45
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BU of 3c45 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a fluoroolefin inhibitor
分子名称: (2S,3S)-3-{3-[2-chloro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-cyclopentylidene-4-cyclopropyl-1-fluorobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
6VDG
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BU of 6vdg by Molmil
Crystal Structure of the Y182A HisF Mutant from Thermotoga maritima
分子名称: Imidazole glycerol phosphate synthase subunit HisF, PHOSPHATE ION
著者Almeida, V.M, Matsuyama, B.Y, Farah, C.S, Marana, S.R.
登録日2019-12-27
公開日2020-01-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Role of a high centrality residue in protein dynamics and thermal stability.
J.Struct.Biol., 213, 2021
3C43
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BU of 3c43 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
分子名称: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scapin, G, Edmondson, S.D, Weber, A.E.
登録日2008-01-29
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5AOE
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BU of 5aoe by Molmil
Crystal structure of pneumolysin D168A mutant.
分子名称: PNEUMOLYSIN
著者van Pee, K, Yildiz, O.
登録日2015-09-10
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献CryoEM structures of membrane pore and prepore complex reveal cytolytic mechanism of Pneumolysin.
Elife, 6, 2017
5AOF
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BU of 5aof by Molmil
Crystal structure of pneumolysin deletion mutant Delta146_147.
分子名称: PNEUMOLYSIN
著者van Pee, K, Yildiz, O.
登録日2015-09-10
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献CryoEM structures of membrane pore and prepore complex reveal cytolytic mechanism of Pneumolysin.
Elife, 6, 2017
4BZ8
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BU of 4bz8 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038
分子名称: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid, HISTONE DEACETYLASE 8, POTASSIUM ION, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ6
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BU of 4bz6 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
分子名称: DIMETHYLFORMAMIDE, GLYCEROL, HISTONE DEACETYLASE 8, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ7
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BU of 4bz7 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, HISTONE DEACETYLASE 8, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ9
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BU of 4bz9 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
分子名称: 3-chlorobenzothiophene-2-carbohydroxamic acid, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
4BZ5
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Crystal structure of Schistosoma mansoni HDAC8
分子名称: HISTONE DEACETYLASE 8, L(+)-TARTARIC ACID, POTASSIUM ION, ...
著者Marek, M, Romier, C.
登録日2013-07-24
公開日2013-08-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Structural Basis for the Inhibition of Histone Deacetylase 8 (Hdac8), a Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni.
Plos Pathog., 9, 2013
3SN7
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BU of 3sn7 by Molmil
Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors
分子名称: 8-fluoro-6-methoxy-3,4-dimethyl-1-(3-methylpyridin-4-yl)imidazo[1,5-a]quinoxaline, CHLORIDE ION, MAGNESIUM ION, ...
著者Parris, K.D.
登録日2011-06-28
公開日2011-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Highly Potent, Selective, and Orally Active Phosphodiesterase 10A Inhibitors.
J.Med.Chem., 54, 2011
8PKL
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Escherichia coli paused disome complex (leading 70S non-rotated closed PRE state)
分子名称: 1,4-DIAMINOBUTANE, 16S ribosomal RNA, 23S ribosomal RNA, ...
著者Fluegel, T, Schacherl, M.
登録日2023-06-26
公開日2024-03-06
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Transient disome complex formation in native polysomes during ongoing protein synthesis captured by cryo-EM.
Nat Commun, 15, 2024

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