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7KDS
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Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
分子名称: ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase 2, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-10-09
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of Acetyl-CoA synthetase 2 in complex with Adenosine-5'-propylphosphate from Candida albicans
To Be Published
7JZ0
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Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1) and S-Adenosyl-L-homocysteine (SAH).
分子名称: 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ...
著者Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-01
公開日2020-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design
Biorxiv, 2020
1WP6
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Crystal structure of maltohexaose-producing amylase from alkalophilic Bacillus sp.707.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glucan 1,4-alpha-maltohexaosidase, ...
著者Kanai, R, Haga, K, Akiba, T, Yamane, K, Harata, K.
登録日2004-08-31
公開日2004-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and crystallographic analyses of maltohexaose-producing amylase from alkalophilic Bacillus sp. 707
Biochemistry, 43, 2004
7KBU
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Structure of Hevin FS-EC
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Machius, M, Fan, S, Rudenko, G.
登録日2020-10-03
公開日2021-02-10
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Interplay between hevin, SPARC, and MDGAs: Modulators of neurexin-neuroligin transsynaptic bridges.
Structure, 29, 2021
7K15
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Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, HEXAETHYLENE GLYCOL, ...
著者Michaelian, N, Han, G.W, Cherezov, V.
登録日2020-09-07
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural insights on ligand recognition at the human leukotriene B4 receptor 1.
Nat Commun, 12, 2021
7K97
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Human DNA polymerase beta dGDP product complex with Mn2+
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Varela, F.A, Freudenthal, B.D.
登録日2020-09-28
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanism of Deoxyguanosine Diphosphate Insertion by Human DNA Polymerase beta.
Biochemistry, 60, 2021
7V6J
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LcCOMT in complex with SAM
分子名称: LcCOMT, S-ADENOSYLMETHIONINE, SODIUM ION
著者Yu, Y, CHen, Q.
登録日2021-08-20
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism.
Int.J.Biol.Macromol., 194, 2022
7K4O
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Tannin acyl hydrolase from Aspergillus niger
分子名称: 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ren, B.
登録日2020-09-15
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of fungal tannase from Aspergillus niger.
Acta Crystallogr D Struct Biol, 77, 2021
7VGP
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Hen egg lysozyme refolded after denaturation at acidic pH
分子名称: Lysozyme C, SODIUM ION
著者Oda, M, Ikura, T, Ito, N.
登録日2021-09-17
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Analysis of Hen Egg Lysozyme Refolded after Denaturation at Acidic pH.
Protein J., 41, 2022
7VGO
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Hen egg lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Oda, M, Ikura, T, Ito, N.
登録日2021-09-17
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Analysis of Hen Egg Lysozyme Refolded after Denaturation at Acidic pH.
Protein J., 41, 2022
1WYW
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Crystal Structure of SUMO1-conjugated thymine DNA glycosylase
分子名称: CHLORIDE ION, G/T mismatch-specific thymine DNA glycosylase, MAGNESIUM ION, ...
著者Baba, D, Maita, N, Jee, J.G, Uchimura, Y, Saitoh, H, Sugasawa, K, Hanaoka, F, Tochio, H, Hiroaki, H, Shirakawa, M.
登録日2005-02-17
公開日2005-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of thymine DNA glycosylase conjugated to SUMO-1.
Nature, 435, 2005
7VJ2
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class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (125 us time-point)
分子名称: DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
7JXF
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E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog
分子名称: (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ...
著者Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K.
登録日2020-08-27
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
1A9Z
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UDP-GALACTOSE 4-EPIMERASE MUTANT S124A/Y149F COMPLEXED WITH UDP-GALACTOSE
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, TRIETHYLENE GLYCOL, ...
著者Thoden, J.B, Holden, H.M.
登録日1998-04-14
公開日1998-10-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dramatic differences in the binding of UDP-galactose and UDP-glucose to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 37, 1998
1F4R
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CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH 1,N6-ETHENOADENINE-DNA
分子名称: 3-METHYL-ADENINE DNA GLYCOSYLASE, DNA (5'-D(*GP*AP*CP*AP*TP*GP*(EDA)P*TP*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), ...
著者Lau, A.Y, Wyatt, M.D, Glassner, B.J, Samson, L.D, Ellenberger, T.
登録日2000-06-08
公開日2000-12-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for discriminating between normal and damaged bases by the human alkyladenine glycosylase, AAG.
Proc.Natl.Acad.Sci.USA, 97, 2000
7JUA
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Crystal structure of the second heterocyclization domain of yersiniabactin synthetase at 2.35 A resolution
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Soule, J, Dowling, D.P.
登録日2020-08-19
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 2022
1WNX
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D136E mutant of Heme Oxygenase from Corynebacterium diphtheriae (HmuO)
分子名称: Heme oxygenase, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Unno, M, Matsui, T, Ikeda-Saito, M.
登録日2004-08-10
公開日2004-11-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Roles of Distal Asp in Heme Oxygenase from Corynebacterium diphtheriae, HmuO: A WATER-DRIVEN OXYGEN ACTIVATION MECHANISM
J.Biol.Chem., 280, 2005
7JTJ
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Crystal structure of the second heterocyclization domain of yersiniabactin synthetase
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Irp2 protein, SODIUM ION
著者Xia, Y, Gnann, A.D, Dowling, D.P.
登録日2020-08-17
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献High-resolution structures of a siderophore-producing cyclization domain from Yersinia pestis offer a refined proposal of substrate binding.
J.Biol.Chem., 298, 2022
7VKB
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Crystal structure of the a bacterial kinase complex
分子名称: DI(HYDROXYETHYL)ETHER, HipA (Persistence to inhibition of murein or DNA biosynthesis), HipA_C domain-containing protein, ...
著者Zhen, X, Ouyang, S.Y.
登録日2021-09-29
公開日2022-06-29
最終更新日2022-08-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
7JTO
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Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ...
著者Kottur, J, Jain, R, Aggarwal, A.K.
登録日2020-08-18
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
7JXA
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CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE
分子名称: 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ...
著者Sander, C.L, Palczewski, K, Kiser, P.D.
登録日2020-08-26
公開日2021-10-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
7K5V
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OXA-48 bound by Compound 3.1
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
著者Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T.
登録日2020-09-17
公開日2021-12-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
7KGT
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Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234
分子名称: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
著者Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
登録日2020-10-18
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
7V8O
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Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221
分子名称: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, DI(HYDROXYETHYL)ETHER, ...
著者Li, T, Li, G.Y, Yin, H.
登録日2021-08-23
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7VC3
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Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and L-proline at 1.97 A resolution
分子名称: 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CHLORIDE ION, ETHANOLAMINE, ...
著者Malhotra, N, Yogavel, M, Sharma, A.
登録日2021-09-01
公開日2022-09-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023

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