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4XD4
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Phosphotriesterase variant E2b
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R3, ...
著者Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N.
登録日2014-12-19
公開日2015-12-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4XF5
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Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol.
分子名称: (2S)-2-aminopropan-1-ol, CHLORIDE ION, Twin-arginine translocation pathway signal
著者Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2014-12-26
公開日2015-01-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound (S)-(+)-2-Amino-1-propanol.
To be published
4XFZ
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Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
5ZYL
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BU of 5zyl by Molmil
Crystal structure of CERT START domain in complex with compound E25A
分子名称: 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT
著者Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K.
登録日2018-05-25
公開日2019-02-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
4XOP
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Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with hexasaccharide
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
著者Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
6A4R
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BU of 6a4r by Molmil
Crystal structure of aspartate bound peptidase E from Salmonella enterica
分子名称: ASPARTIC ACID, Peptidase E
著者Yadav, P, Chandravanshi, K, Goyal, V.D, Singh, R, Kumar, A, Gokhale, S.M, Makde, R.D.
登録日2018-06-20
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Structure of Asp-bound peptidase E from Salmonella enterica: Active site at dimer interface illuminates Asp recognition.
FEBS Lett., 592, 2018
6A52
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Oxidase ChaP-H1
分子名称: FE (II) ION, dioxidase ChaP-H1
著者Zhang, B, Ge, H.M.
登録日2018-06-21
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Basis for the Final Oxidative Rearrangement Steps in Chartreusin Biosynthesis.
J. Am. Chem. Soc., 140, 2018
6A5W
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FXR-LBD with HNC143 and SRC1
分子名称: 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Wang, N, Liu, J.
登録日2018-06-25
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
6A8M
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N-terminal domain of FACT complex subunit SPT16 from Eremothecium gossypii (Ashbya gossypii)
分子名称: FACT complex subunit SPT16
著者Gaur, N.K, Are, V.N, Durani, V, Ghosh, B, Kumar, A, Kulkarni, K, Makde, R.D.
登録日2018-07-09
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolutionary conservation of protein dynamics: insights from all-atom molecular dynamics simulations of 'peptidase' domain of Spt16.
J.Biomol.Struct.Dyn., 2021
6A17
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Crystal structure of CYP90B1 in complex with brassinazole
分子名称: (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
著者Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
登録日2018-06-06
公開日2019-06-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
4ZQA
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Crystal Structure of the Sds3 Dimerization Domain
分子名称: Sin3 histone deacetylase corepressor complex component SDS3
著者Chan, C.W, Mondragon, A, Clark, M, Radhakrishnan, I.
登録日2015-05-08
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ZQK
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Structure of the complex of human programmed death-1 (PD-1) and its ligand PD-L1.
分子名称: Programmed cell death 1 ligand 1, Programmed cell death protein 1, SODIUM ION
著者Zak, K.M, Dubin, G, Holak, T.A.
登録日2015-05-10
公開日2015-11-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1.
Structure, 23, 2015
5ZQQ
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Tankyrase-2 in complex with compound 52
分子名称: 1-methyl-1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)spiro[indole-3,4'-piperidin]-2(1H)-one, GLYCEROL, PHOSPHATE ION, ...
著者Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T.
登録日2018-04-19
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
5ZS3
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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
4ZD3
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BU of 4zd3 by Molmil
Structure of a transglutaminase 2-specific autoantibody Fab fragment
分子名称: 679-14-14E06 Fab fragment heavy chain, 679-14-14E06 Fab fragment light chain
著者Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
登録日2015-04-16
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease.
J.Biol.Chem., 290, 2015
6A5F
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The structure of [4+2] and [6+4] cyclase in the biosynthetic pathway of nargenicin
分子名称: NgnD
著者Zhang, B, Ge, H.M.
登録日2018-06-23
公開日2019-02-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme-catalysed [6+4] cycloadditions in the biosynthesis of natural products.
Nature, 568, 2019
4YXB
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FliM(SPOA)::FliN fusion protein
分子名称: Ambiguous peptide density, Flagellar motor switch protein FliM,Flagellar motor switch protein FliN, FliM::FliN fragment, ...
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
4ZE1
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Saccharomyces cerevisiae CYP51 Y140F mutant complexed with posaconazole in the active site
分子名称: Lanosterol 14-alpha demethylase, POSACONAZOLE, PROTOPORPHYRIN IX CONTAINING FE
著者Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C.
登録日2015-04-20
公開日2016-03-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
5ZS6
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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
4YXV
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PksG, a HMG-CoA Synthase from Bacillus subtilus
分子名称: Polyketide biosynthesis 3-hydroxy-3-methylglutaryl-ACP synthase PksG
著者Till, M, Nair, A.V, Robson, A, Race, P.R.
登録日2015-03-23
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献PksG, a HMG-CoA Synthase from Bacillus subtilus
To Be Published
4YZB
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CDPK1 from Eimeria tenella in complex with inhibitor UW1521
分子名称: 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine, CALCIUM ION, Calmodulin-like domain protein kinase
著者Merritt, E.A.
登録日2015-03-24
公開日2016-04-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献CDPK is a druggable target in the apicomplexan parasite Eimeria
to be published
4YZP
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Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis
分子名称: Cellulose hydrolase
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
5ZSM
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Crystal structure of monkey TLR7 in complex with GGUCCC
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, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ...
著者Zhang, Z, Ohto, U, Shimizu, T.
登録日2018-04-28
公開日2019-01-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands.
Cell Rep, 25, 2018
4Z26
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Mimivirus R135 (residues 51-702)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase R135
著者Klose, T, Rossmann, M.G.
登録日2015-03-28
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.915 Å)
主引用文献A Mimivirus Enzyme that Participates in Viral Entry.
Structure, 23, 2015
5ZVP
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Aspergillus fumigatus Rho1 F25N
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1, ...
著者Wei, W.F, Van Aalten, D.M.F.
登録日2018-05-12
公開日2019-05-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Aspergillus fumigateurs Rho1 F25N
To Be Published

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件を2024-07-17に公開中

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