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2OP3
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BU of 2op3 by Molmil
The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ...
著者Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A.
登録日2007-01-26
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
J.Med.Chem., 50, 2007
1K8G
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BU of 1k8g by Molmil
Crystal Structure of the N-terminal domain of Oxytricha nova telomere end binding protein alpha subunit both uncomplexed and complexed with telomeric ssDNA
分子名称: 5'-D(TP*TP*GP*GP*GP*G)-3', SULFATE ION, Telomere-Binding Protein alpha Subunit
著者Classen, S, Ruggles, J.A, Schultz, S.C.
登録日2001-10-24
公開日2001-12-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the N-terminal domain of Oxytricha nova telomere end-binding protein alpha subunit both uncomplexed and complexed with telomeric ssDNA.
J.Mol.Biol., 314, 2001
1K8A
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BU of 1k8a by Molmil
Co-crystal structure of Carbomycin A bound to the 50S ribosomal subunit of Haloarcula marismortui
分子名称: 23S RRNA, 5S RRNA, CADMIUM ION, ...
著者Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.
登録日2001-10-23
公開日2002-07-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
1KXK
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BU of 1kxk by Molmil
Crystal Structure of a RNA Molecule Containing Domain 5 and 6 of the Yeast ai5g Group II Self-splicing Intron
分子名称: MAGNESIUM ION, ai5g group II Self-splicing intron
著者Zhang, L, Doudna, J.A.
登録日2002-01-31
公開日2002-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into group II intron catalysis and branch-site selection.
Science, 295, 2002
1KH6
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BU of 1kh6 by Molmil
Crystal Structure of an RNA Tertiary Domain Essential to HCV IRES-mediated Translation Initiation.
分子名称: JIIIabc
著者Kieft, J.S, Zhou, K, Grech, A, Jubin, R, Doudna, J.A.
登録日2001-11-29
公開日2002-04-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of an RNA tertiary domain essential to HCV IRES-mediated translation initiation.
Nat.Struct.Biol., 9, 2002
1KV8
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BU of 1kv8 by Molmil
Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase
分子名称: 3-Keto-L-Gulonate 6-Phosphate Decarboxylase, MAGNESIUM ION, PHOSPHATE ION
著者Wise, E, Yew, W.S, Babbitt, P.C, Gerlt, J.A, Rayment, I.
登録日2002-01-25
公開日2002-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Homologous (beta/alpha)8-barrel enzymes that catalyze unrelated reactions: orotidine 5'-monophosphate decarboxylase and 3-keto-L-gulonate 6-phosphate decarboxylase.
Biochemistry, 41, 2002
2P5L
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BU of 2p5l by Molmil
Crystal structure of a dimer of N-terminal domains of AhrC in complex with an 18bp DNA operator site
分子名称: Arginine repressor, DNA (5'-D(*DCP*DAP*DTP*DGP*DAP*DAP*DTP*DAP*DAP*DAP*DAP*DAP*DTP*DTP*DCP*DAP*DAP*DG)-3'), DNA (5'-D(*DCP*DTP*DTP*DGP*DAP*DAP*DTP*DTP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DG)-3'), ...
著者Garnett, J.A, Marincs, F, Baumberg, S, Stockley, P.G, Phillips, S.E.V.
登録日2007-03-15
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure and function of the arginine repressor-operator complex from Bacillus subtilis.
J.Mol.Biol., 379, 2008
2P8C
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BU of 2p8c by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
2P88
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BU of 2p88 by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579
分子名称: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein
著者Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
登録日2007-03-22
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
1K9M
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BU of 1k9m by Molmil
Co-crystal structure of tylosin bound to the 50S ribosomal subunit of Haloarcula marismortui
分子名称: 23S RRNA, 5S RRNA, CADMIUM ION, ...
著者Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T.A.
登録日2001-10-29
公開日2002-07-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of four macrolide antibiotics bound to the large ribosomal subunit.
Mol.Cell, 10, 2002
1KEA
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BU of 1kea by Molmil
STRUCTURE OF A THERMOSTABLE THYMINE-DNA GLYCOSYLASE
分子名称: ACETATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Mol, C.D, Arvai, A.S, Begley, T.J, Cunningham, R.P, Tainer, J.A.
登録日2001-11-14
公開日2002-01-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and activity of a thermostable thymine-DNA glycosylase: evidence for base twisting to remove mismatched normal DNA bases.
J.Mol.Biol., 315, 2002
2P5M
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BU of 2p5m by Molmil
C-terminal domain hexamer of AhrC bound with L-arginine
分子名称: ARGININE, Arginine repressor
著者Garnett, J.A, Baumberg, S, Stockley, P.G, Phillips, S.E.V.
登録日2007-03-15
公開日2007-10-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of the C-terminal effector-binding domain of AhrC bound to its corepressor L-arginine.
Acta Crystallogr.,Sect.F, 63, 2007
8BRE
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BU of 8bre by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
分子名称: Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-11-23
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8BD0
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BU of 8bd0 by Molmil
Human Gamma-D crystallin R36S mutant with DTT-Cystein Protein modification
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Human Gamma-D Crystallin R36S
著者Yorke, B.A, Hill, J.A.
登録日2022-10-17
公開日2023-11-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin.
Commun Chem, 7, 2024
8BPI
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BU of 8bpi by Molmil
Human Gamma-D crystallin R36S mutant after UV illumination
分子名称: Gamma-crystallin D
著者Yorke, B.A, Hill, J.A.
登録日2022-11-16
公開日2023-11-29
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An ultraviolet-driven rescue pathway for oxidative stress to eye lens protein human gamma-D crystallin.
Commun Chem, 7, 2024
7BGS
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BU of 7bgs by Molmil
Archeal holliday junction resolvase from Thermus thermophilus phage 15-6
分子名称: Holliday junction resolvase, SULFATE ION
著者Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S.
登録日2021-01-08
公開日2022-01-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
7BNX
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Archeal holliday junction resolvase from Thermus thermophilus phage 15-6
分子名称: Holliday junction resolvase, SULFATE ION
著者Hakansson, M, Ahlqvist, J, Linares Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Al-Karadaghi, S.
登録日2021-01-22
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.551 Å)
主引用文献Crystal structure and initial characterization of a novel archaeal-like Holliday junction-resolving enzyme from Thermus thermophilus phage Tth15-6.
Acta Crystallogr D Struct Biol, 78, 2022
8BIK
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BU of 8bik by Molmil
Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455
分子名称: (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ...
著者Schimpl, M, Mather, K.M, Boland, M.L, Rivers, E.L, Srivastava, A, Hemsley, P, Robinson, J, Wan, P.T, Hansen, J, Read, J.A, Trevaskis, J.L, Smith, D.M.
登録日2022-11-02
公開日2024-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Direct beta 1/ beta 2 AMPK activation reduces liver steatosis but not fibrosis in a mouse model of non-alcoholic steatohepatitis
Biorxiv, 2024
8BMV
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BU of 8bmv by Molmil
Ligand binding domain of the P. Putida receptor McpH in complex with Uric acid
分子名称: Methyl-accepting chemotaxis protein McpH, URIC ACID
著者Gavira, J.A, Krell, T, Fernandez, M, Martinez-Rodriguez, S.
登録日2022-11-11
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ubiquitous purine sensor modulates diverse signal transduction pathways in bacteria.
Nat Commun, 15, 2024
8BYA
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Cryo-EM structure of SKP1-SKP2-CKS1-CDK2-CyclinA-p27KIP1 Complex
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ...
著者Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
登録日2022-12-12
公開日2023-06-28
最終更新日2023-07-19
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8BYL
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BU of 8byl by Molmil
Cryo-EM structure of SKP1-SKP2-CKS1 from the SCFSKP2 E3 ligase complex
分子名称: Cyclin-dependent kinase inhibitor 1B, Cyclin-dependent kinases regulatory subunit 1, S-phase kinase-associated protein 1, ...
著者Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.M.
登録日2022-12-13
公開日2023-06-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8BZO
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BU of 8bzo by Molmil
Cryo-EM structure of CDK2-CyclinA in complex with p27 from the SCFSKP2 E3 ligase Complex
分子名称: Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B
著者Rowland, R.J, Salamina, M, Endicott, J.A, Noble, M.E.
登録日2022-12-15
公開日2023-06-28
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of SKP1-SKP2-CKS1 in complex with CDK2-cyclin A-p27KIP1.
Sci Rep, 13, 2023
8CDN
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BU of 8cdn by Molmil
Crystal structure of human Brachyury in complex with a single T box binding element DNA
分子名称: DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T
著者Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C.
登録日2023-01-31
公開日2023-03-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of human Brachyury in complex with a single T box binding element DNA
To Be Published
6YU3
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BU of 6yu3 by Molmil
Crystal structure of MhsT in complex with L-phenylalanine
分子名称: DODECYL-BETA-D-MALTOSIDE, GLYCEROL, PHENYLALANINE, ...
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 (2.25 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
6ZAC
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PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide
著者Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P.
登録日2020-06-05
公開日2020-07-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020

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