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7O30
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Crystal structure of the anti-PAS Fab 1.1 in complex with its epitope peptide
分子名称: PAS#1 epitope peptide, anti-PAS Fab 1.1 chimeric heavy chain, anti-PAS Fab 1.1 chimeric light chain
著者Schilz, J, Schiefner, A, Skerra, A.
登録日2021-04-01
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
6DVV
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BU of 6dvv by Molmil
2.25 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Klebsiella pneumoniae in Complex with NAD and Mn2+.
分子名称: 6-phospho-alpha-glucosidase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Endres, M, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-06-25
公開日2018-07-18
最終更新日2023-06-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
7O2Z
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Crystal structure of the anti-PAS Fab 2.2 in complex with its epitope peptide
分子名称: CHLORIDE ION, P/A#1 epitope peptide, anti-PAS Fab 2.2 chimeric heavy chain, ...
著者Schilz, J, Schiefner, A, Skerra, A.
登録日2021-04-01
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
7O2A
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X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
分子名称: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
6DO8
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BU of 6do8 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 80 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.414 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8UJY
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Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)
分子名称: (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one, WD repeat-containing protein 5
著者Zhao, B, Amporndanai, K, Fesik, S.W.
登録日2023-10-11
公開日2023-12-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.
J.Med.Chem., 66, 2023
7NZ0
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Cryo-EM structure of the MukBEF-MatP-DNA monomer (open conformation)
分子名称: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
著者Buermann, F, Lowe, J.
登録日2021-03-23
公開日2021-07-07
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.
Mol.Cell, 81, 2021
6DOE
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Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 420 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7NZ3
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Cryo-EM structure of apposed MukBEF-MatP monomers on DNA
分子名称: 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
著者Buermann, F, Lowe, J.
登録日2021-03-23
公開日2021-07-07
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Cryo-EM structure of MukBEF reveals DNA loop entrapment at chromosomal unloading sites.
Mol.Cell, 81, 2021
6DOS
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Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 300 mM K+ for 120 s at 21 C (dataset 2)
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.318 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7O2B
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BU of 7o2b by Molmil
X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6
分子名称: (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
8V4H
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BU of 8v4h by Molmil
X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol
分子名称: CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ...
著者Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M.
登録日2023-11-29
公開日2023-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
8GKA
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BU of 8gka by Molmil
Human TRPV3 tetramer structure, closed conformation
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
著者Lansky, S, Betancourt, J.M, Scheuring, S.
登録日2023-03-17
公開日2023-09-06
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FNS
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BU of 6fns by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
分子名称: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
6FPH
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BU of 6fph by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h
分子名称: 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Levy, C.W, Leys, D.
登録日2018-02-09
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8GRT
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BU of 8grt by Molmil
Small Dipeptide Analogues developed by Co-crystal Structure of Stenotrophomonas maltophilia Dipeptidyl Peptidase 7
分子名称: 2-AMINO-3-CYCLOHEXYL-PROPIONIC ACID, Dipeptidyl-peptidase, TYROSINE
著者Yasumitsu, S, Koushi, H, Akihiro, N, Yoshiyuki, Y, Wataru, O, Mizuki, S, Saori, R, Nobutada, T, Anna, M, Keiko, H, Tsuda, Y.
登録日2022-09-02
公開日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Small Dipeptide Analogues Generated by Co-crystal Structure of Bacterial Dipeptidyl Peptidase 7 to Defeat Stenotrophomonas maltophilia
To Be Published
8GKG
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BU of 8gkg by Molmil
Human TRPV3 pentamer structure
分子名称: Transient receptor potential cation channel subfamily V member 3
著者Lansky, S, Betancourt, J.M, Scheuring, S.
登録日2023-03-18
公開日2023-09-06
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (4.38 Å)
主引用文献A pentameric TRPV3 channel with a dilated pore.
Nature, 621, 2023
4NB9
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Oxygenase with Ile262 replaced by Val and ferredoxin complex of carbazole 1,9a-dioxygenase
分子名称: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin CarAc, ...
著者Ashikawa, Y, Usami, Y, Inoue, K, Nojiri, H.
登録日2013-10-23
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of the divergent oxygenation reactions catalyzed by the rieske nonheme iron oxygenase carbazole 1,9a-dioxygenase.
Appl.Environ.Microbiol., 80, 2014
6FQX
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BU of 6fqx by Molmil
Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate
分子名称: 2-(2-ETHOXYETHOXY)ETHANOL, 6-phosphogluconate dehydrogenase, decarboxylating, ...
著者Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K.
登録日2018-02-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target.
J. Mol. Biol., 430, 2018
4N9G
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Crystal Structure of a Computationally Designed RSV-Presenting Epitope Scaffold And Its Elicited Antibody 17HD9
分子名称: Antibody 17HD9, Heavy Chain, Light Chain, ...
著者Carrico, C.T.D, Strong, R.K.
登録日2013-10-21
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Proof of principle for epitope-focused vaccine design.
Nature, 507, 2014
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
分子名称: MAGNESIUM ION, Ultraviolet-B receptor UVR8
著者Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
登録日2013-10-23
公開日2016-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
8UHI
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BU of 8uhi by Molmil
Structure of the far-red light-absorbing allophycocyanin core expressed during FaRLiP
分子名称: MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, Ribulose bisphosphate carboxylase large subunit, ...
著者Gisriel, C.J, Bryant, D.A, Brudvig, G.W, Shen, G.
登録日2023-10-09
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335.
J.Biol.Chem., 300, 2023
7OCK
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BU of 7ock by Molmil
MAT in complex with SAMH
分子名称: S-adenosylmethionine synthase, SAM hydrolase
著者Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S.
登録日2021-04-27
公開日2021-07-21
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers.
Mbio, 12, 2021
7O99
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diMn-sulerythrin
分子名称: CHLORIDE ION, COBALT (II) ION, Sulerythrin
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021

224004

件を2024-08-21に公開中

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