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8JA6
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Structure of the alginate epimerase/lyase complexed with tri-mannuronic acid
分子名称: ACETATE ION, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, ...
著者Fujiwara, T.
登録日2023-05-05
公開日2024-05-08
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
Febs Lett., 598, 2024
4NQ1
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Legionella pneumophila dihydrodipicolinate synthase with first substrate pyruvate bound in the active site
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
著者Siddiqui, T, Paxman, J.J.
登録日2013-11-23
公開日2014-01-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Legionella pneumophila DHDPS: The First Case of Non-Lysine Inhibition in a Gram-Negative Pathogen
To be Published
4QRY
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BU of 4qry by Molmil
the ground state and the N intermediate of pharaonis halorhodopsin in complex with bromide ion
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, BROMIDE ION, Halorhodopsin, ...
著者Kouyama, T, Kawaguchi, H.
登録日2014-07-02
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin
Biophys.J., 108, 2015
8G4S
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BU of 8g4s by Molmil
40S ribosomal subunit of the 80S Giardia intestinalis assemblage A ribosome with Emetine bound in V2 conformation with mRNA and three tRNAs.
分子名称: 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S25, ...
著者Eiler, D.R, Wimberly, B.T, Bilodeau, D.Y, Rissland, O.S, Kieft, J.S.
登録日2023-02-10
公開日2024-01-31
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献The Giardia lamblia ribosome structure reveals divergence in several biological pathways and the mode of emetine function.
Structure, 32, 2024
6F63
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Crystal structure of the SYCP1 C-terminal back-to-back assembly
分子名称: Synaptonemal complex protein 1
著者Dunce, J.M, Millan, C, Uson, I, Davies, O.R.
登録日2017-12-04
公開日2018-06-06
最終更新日2020-04-22
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
3WEL
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BU of 3wel by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltotriose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, GLYCEROL, ...
著者Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
登録日2013-07-08
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
6YPW
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Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide
分子名称: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
8AQ2
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BU of 8aq2 by Molmil
In meso structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa covalently linked with TITC
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ...
著者Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
登録日2022-08-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
7ETR
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BU of 7etr by Molmil
Crystal structure of SO_1444-SO_1445 complex from Shewanella oneidensis
分子名称: Toxin module of toxin-antitoxin system RelE/StbE family, Transcriptional regulator CopG family
著者Zhou, J, Zhang, H.
登録日2021-05-13
公開日2022-03-23
実験手法X-RAY DIFFRACTION (3.804 Å)
主引用文献Insights into the Neutralization and DNA Binding of Toxin-Antitoxin System ParE SO-CopA SO by Structure-Function Studies.
Microorganisms, 9, 2021
8AQ4
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In surfo structure of the membrane integral lipoprotein N-acyltransferase Lnt from E. coli in complex with TITC and lyso-PE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M.
登録日2022-08-11
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
3WEN
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BU of 3wen by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltopentaose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, ...
著者Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
登録日2013-07-09
公開日2014-07-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
7F5X
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GK domain of Drosophila P5CS filament with glutamate
分子名称: Delta-1-pyrroline-5-carboxylate synthase, GAMMA-L-GLUTAMIC ACID
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-23
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
7F5V
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Drosophila P5CS filament with glutamate, ATP, and NADPH
分子名称: Delta-1-pyrroline-5-carboxylate synthase
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
7F5U
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BU of 7f5u by Molmil
Drosophila P5CS filament with glutamate and ATPgammaS
分子名称: Delta-1-pyrroline-5-carboxylate synthase
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-04-06
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
6YU4
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BU of 6yu4 by Molmil
Crystal structure of MhsT in complex with L-4F-phenylalanine
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
5NN8
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BU of 5nn8 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
登録日2017-04-08
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
5JWC
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BU of 5jwc by Molmil
Structure of NDH2 from plasmodium falciparum in complex with RYL-552
分子名称: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y.
登録日2016-05-12
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
分子名称: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Cowan-Jacob, S.W, Scheufler, C.
登録日2017-01-30
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6FKV
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BU of 6fkv by Molmil
Structure and function of aldehyde dehydrogenase from Thermus thermophilus: An enzyme with an evolutionarily-distinct C-terminal arm (Recombinant protein with shortened C-terminal, ADH508)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldehyde dehydrogenase, CHLORIDE ION, ...
著者Hayes, K.A, Noor, M.R, Djeghader, A, Soulimane, T.
登録日2018-01-24
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The quaternary structure of Thermus thermophilus aldehyde dehydrogenase is stabilized by an evolutionary distinct C-terminal arm extension.
Sci Rep, 8, 2018
6YXX
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State A of the Trypanosoma brucei mitoribosomal large subunit assembly intermediate
分子名称: 12S ribosomal RNA, 50S ribosomal protein L13, putative, ...
著者Jaskolowski, M, Ramrath, D.J.F, Bieri, P, Niemann, M, Mattei, S, Calderaro, S, Leibundgut, M.A, Horn, E.K, Boehringer, D, Schneider, A, Ban, N.
登録日2020-05-04
公開日2020-10-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structural Insights into the Mechanism of Mitoribosomal Large Subunit Biogenesis.
Mol.Cell, 79, 2020
6W3I
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BU of 6w3i by Molmil
Crystal structure of a FAM46C mutant in complex with Plk4
分子名称: Serine/threonine-protein kinase PLK4, Terminal nucleotidyltransferase 5C
著者Chen, H, Shang, G.J, Lu, D.F, Zhang, X.W.
登録日2020-03-09
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.802 Å)
主引用文献Structural and Functional Analyses of the FAM46C/Plk4 Complex.
Structure, 28, 2020
8AF2
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Human Sterol Carrier Protein with unnatural amino acid 2,2'-bipyridine alanine incorporated at position 111
分子名称: COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ...
著者Richardson, J.M, Klemencic, E, Jarvis, A.G.
登録日2022-07-15
公開日2023-08-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
7F5T
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Drosophila P5CS filament with glutamate
分子名称: Delta-1-pyrroline-5-carboxylate synthase, GLUTAMIC ACID
著者Liu, J.L, Zhong, J, Guo, C.J, Zhou, X.
登録日2021-06-22
公開日2022-05-18
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structural basis of dynamic P5CS filaments.
Elife, 11, 2022
8AF3
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Sterol carrier protein Artifical metalloenzyme incorporating Q111C mutation coupled to 2,2'-bipyridine
分子名称: COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ...
著者Richardson, J.M, Klemencic, E, Jarvis, A.G.
登録日2022-07-15
公開日2023-08-16
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
3SFI
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BU of 3sfi by Molmil
Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
分子名称: 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family)
著者Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N.
登録日2011-06-13
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
J.Med.Chem., 55, 2012

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