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7XII
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Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) & aminopropylagmatine
分子名称: 1-{4-[(3-aminopropyl)amino]butyl}guanidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ...
著者Mizohata, E, Yasuda, Y.
登録日2022-04-13
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
7XOI
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Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose
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, SODIUM ION, ...
著者Tonozuka, T.
登録日2022-05-01
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
8GM6
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Structure of apurinic/apyrimidinic DNA lyase TK0353 from Thermococcus kodakarensis (Selenomethionine)
分子名称: GLYCEROL, SULFATE ION, TK0353
著者Eckenroth, B.E, Gardner, A.F, Doublie, S.
登録日2023-03-24
公開日2023-12-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Thermococcus kodakarensis TK0353 is a novel AP lyase with a new fold.
J.Biol.Chem., 300, 2023
8GLC
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A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket
分子名称: MbtH-like short polypeptide, Non-ribosomal peptide synthetase
著者Hansen, M.H, Cryle, M.J.
登録日2023-03-21
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8GIC
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A1 Tei + Hpg: Adenylation domain 1 core construct from teicoplanin biosynthesis; 4-hydroxyphenylglycine bound
分子名称: (2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MbtH-like short polypeptide, ...
著者Hansen, M.H, Cryle, M.J.
登録日2023-03-14
公開日2023-12-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides.
Nat Commun, 14, 2023
8G4Y
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Structure of ZNRF3 ECD bound to peptide MK1-3.6.10
分子名称: E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10
著者Harris, S.F, Wu, P.
登録日2023-02-10
公開日2023-12-20
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth.
Cell Chem Biol, 31, 2024
5JQ9
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Yersinia pestis DHPS with pterine-sulfa conjugate Compound 16
分子名称: 1,2-ETHANEDIOL, 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene-1-sulfonamide, Dihydropteroate synthase
著者Wu, Y, White, S.W.
登録日2016-05-04
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Pterin-sulfa conjugates as dihydropteroate synthase inhibitors and antibacterial agents.
Bioorg.Med.Chem.Lett., 26, 2016
5K42
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Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with GDP-glucose.
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Alpha,alpha-trehalose-phosphate synthase, ...
著者Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L.
登録日2016-05-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.921 Å)
主引用文献Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
7XIH
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BU of 7xih by Molmil
Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermidine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Polyamine aminopropyltransferase, SPERMIDINE
著者Mizohata, E, Yasuda, Y.
登録日2022-04-13
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
8GLZ
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Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide
分子名称: CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ...
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-23
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
5K4W
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Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ...
著者Adjogatse, E.A, Erskine, P.T, Cooper, J.B.
登録日2016-05-22
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
8GM2
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BU of 8gm2 by Molmil
Crystal structure of T252E-CYP199A4 in complex with 4-methoxybenzoic acid soaked with 2 mM hydrogen peroxide
分子名称: 4-METHOXYBENZOIC ACID, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, J.H.Z, Bruning, J.B, Bell, S.G.
登録日2023-03-24
公開日2023-12-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
5K6N
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BU of 5k6n by Molmil
Structure of a GH3 b-glicosidase from cow rumen metagenome in complexed with xylose
分子名称: B-GLUCOSIDASE, GLYCEROL, SULFATE ION, ...
著者Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology.
J.Biol.Chem., 291, 2016
7XIF
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BU of 7xif by Molmil
Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) alone or together with spermidine or thermospermine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE, Polyamine aminopropyltransferase, ...
著者Mizohata, E, Yasuda, Y.
登録日2022-04-13
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
7XIG
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Crystal structure of the aminopropyltransferase, SpeE from hyperthermophilic crenarchaeon, Pyrobaculum calidifontis in complex with 5'-methylthioadenosine (MTA) and spermine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Polyamine aminopropyltransferase, ...
著者Mizohata, E, Yasuda, Y.
登録日2022-04-13
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Catalysts, 12, 2022
5K72
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IRAK4 in complex with Compound 21
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
7X0F
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BU of 7x0f by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant
分子名称: 4'-PHOSPHOPANTETHEINE, AMB antimetabolite synthase AmbB
著者ChuYuanKee, M, Bharath, S.R, Song, H.
登録日2022-02-22
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7XM7
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BU of 7xm7 by Molmil
Crystal Structure of the CBP in complex with the Y08188
分子名称: 1,2-ETHANEDIOL, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide, CREB-binding protein, ...
著者Xiang, Q, Zhang, Y, Wang, C, Song, M, Xu, Y.
登録日2022-04-25
公開日2022-06-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as potent and selective CBP bromodomain inhibitors
To Be Published
5KAX
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The structure of CTR107 protein bound to RHODAMINE 6G
分子名称: CTR107 protein, GLYCEROL, RHODAMINE 6G
著者Moreno, A, Wade, H.
登録日2016-06-02
公開日2016-08-24
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins.
Biochemistry, 55, 2016
5KC6
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Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1
著者Elegheert, J, Clay, J.E, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
8GJ5
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BU of 8gj5 by Molmil
fungal pcna and peptidomimetic
分子名称: Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER
著者Vandborg, B, Bruning, J.B.
登録日2023-03-14
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus.
J Fungi, 9, 2023
7WUX
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BU of 7wux by Molmil
Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi
分子名称: (2S,5S,6S)-2,6-bis(azanyl)-5-oxidanyl-7-sulfooxy-heptanoic acid, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, AziU2, ...
著者Kurosawa, S, Yoshida, A, Tomita, T, Nishiyama, M.
登録日2022-02-09
公開日2022-09-07
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.
J.Am.Chem.Soc., 144, 2022
8GDY
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BU of 8gdy by Molmil
Crystal structure of the human PDI first domain with 9 mutations
分子名称: 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION
著者Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F.
登録日2023-03-06
公開日2024-01-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
5KCI
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Crystal Structure of HTC1
分子名称: GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ...
著者Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A.
登録日2016-06-06
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.833 Å)
主引用文献Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
5KD1
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Sperm whale myoglobin H64A with nitrosoamphetamine
分子名称: GLYCEROL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, B, Guan, Y, Thomas, L.M, Richter-Addo, G.B.
登録日2016-06-07
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Nitrosoamphetamine binding to myoglobin and hemoglobin: Crystal structure of the H64A myoglobin-nitrosoamphetamine adduct.
Nitric Oxide, 67, 2017

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件を2024-07-17に公開中

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