8TG9
 
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8DGZ
 | | Caspase-7 bound to substrate mimic and allosteric inhibitor | | 分子名称: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 | | 著者 | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | | 登録日 | 2022-06-24 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
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5WWP
 | | Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV nsp13) | | 分子名称: | ORF1ab, SULFATE ION, ZINC ION | | 著者 | Hao, W, Wojdyla, J.A, Zhao, R, Han, R, Das, R, Zlatev, I, Manoharan, M, Wang, M, Cui, S. | | 登録日 | 2017-01-03 | | 公開日 | 2017-07-05 | | 最終更新日 | 2021-09-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Crystal structure of Middle East respiratory syndrome coronavirus helicase
PLoS Pathog., 13, 2017
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4XTA
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5KF8
 | | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with glucosamine | | 分子名称: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ... | | 著者 | Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A. | | 登録日 | 2016-06-12 | | 公開日 | 2016-07-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
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7M1V
 | | Structure of Zika virus NS2b-NS3 protease mutant binding the compound NSC86314 in the super-open conformation | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide, CHLORIDE ION, ... | | 著者 | Aleshin, A.E, Shiryaev, S.A, Liddington, R.C. | | 登録日 | 2021-03-15 | | 公開日 | 2021-04-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | To be provided
To Be Published
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6U01
 | | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, N84D mutant with pyruvate bound in the active site | | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... | | 著者 | Saran, S, Majdi Yazdi, M, Lehnert, L, Palmer, D.R.J, Sanders, D.A.R. | | 登録日 | 2019-08-13 | | 公開日 | 2019-12-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Asparagine-84, a regulatory allosteric site residue, helps maintain the quaternary structure of Campylobacter jejuni dihydrodipicolinate synthase.
J.Struct.Biol., 209, 2020
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6XCQ
 | | Erythromycin esterase EreC, mutant H289N in its closed conformation | | 分子名称: | EreC, S-1,2-PROPANEDIOL | | 著者 | Zielinski, M, Park, J, Berghuis, A.M. | | 登録日 | 2020-06-09 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural and functional insights into esterase-mediated macrolide resistance.
Nat Commun, 12, 2021
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7MH7
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6ZY7
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 1 | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | 著者 | Vanden Broeck, A, Lamour, V. | | 登録日 | 2020-07-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.64 Å) | | 主引用文献 | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6E5T
 | | Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) | | 分子名称: | (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 | | 著者 | Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. | | 登録日 | 2018-07-23 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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5K18
 | | The NatB Acetyltransferase Complex Bound To bisubstrate inhibitor | | 分子名称: | Bisubstrate inhibitor, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ... | | 著者 | Hong, H, Cai, Y, Zhang, S, Han, A. | | 登録日 | 2016-05-17 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB
Structure, 25, 2017
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5G3O
 | | Bacillus cereus formamidase (BceAmiF) inhibited with urea. | | 分子名称: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, FORMAMIDASE, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Conejero-Muriel, M. | | 登録日 | 2016-04-29 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
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6ZY6
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 2 | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | 著者 | Vanden Broeck, A, Lamour, V. | | 登録日 | 2020-07-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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5G2W
 | | S. enterica HisA mutant D10G, G102A | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION | | 著者 | Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2016-04-14 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7MFP
 | | crystal structure of the L136 aminotransferase K185A from acanthamoeba polyphaga mimivirus in the presence of the UDP-viosamine external aldimine | | 分子名称: | (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Seltzner, C.A, Thoden, J.B, Holden, H.M. | | 登録日 | 2021-04-10 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
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5G31
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7MFQ
 | | crystal structure of the L136 aminotransferase from acanthamoeba polyphaga mimivirus in complex with the TDP-viosamine external aldimine | | 分子名称: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Seltzner, C.A, Thoden, J.B, Holden, H.M. | | 登録日 | 2021-04-10 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
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6ZY8
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 2 | | 分子名称: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | 著者 | Vanden Broeck, A, Lamour, V. | | 登録日 | 2020-07-30 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | | 主引用文献 | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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4R8I
 | | High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2 | | 分子名称: | C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ... | | 著者 | Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C. | | 登録日 | 2014-09-02 | | 公開日 | 2015-04-29 | | 最終更新日 | 2015-05-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
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5K3G
 | | Crystals structure of Acyl-CoA oxidase-1 in Caenorhabditis elegans, Apo form-I | | 分子名称: | Acyl-coenzyme A oxidase | | 著者 | Zhang, X, Li, K, Jones, R.A, Bruner, S.D, Butcher, R.A. | | 登録日 | 2016-05-19 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.859 Å) | | 主引用文献 | Structural characterization of acyl-CoA oxidases reveals a direct link between pheromone biosynthesis and metabolic state in Caenorhabditis elegans.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4R90
 | | Anti CD70 Llama glama Fab 27B3 | | 分子名称: | Anti CD70 Llama glama Fab 27B3 Heavy chain, Anti CD70 Llama glama Fab 27B3 Light chain, CALCIUM ION, ... | | 著者 | Klarenbeek, A, El Mazouari, K, Desmyter, A, Blanchetot, C, Hultberg, A, Roovers, R.C, Cambillau, C, Spinelli, S, Del-Favero, J, Verrips, T, de Haard, H, Achour, I. | | 登録日 | 2014-09-03 | | 公開日 | 2015-06-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.746 Å) | | 主引用文献 | Camelid Ig V genes reveal significant human homology not seen in therapeutic target genes, providing for a powerful therapeutic antibody platform.
MAbs, 7, 2015
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5KAS
 | | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | | 著者 | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | | 登録日 | 2016-06-02 | | 公開日 | 2016-10-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | | 主引用文献 | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity.
J.Biol.Chem., 291, 2016
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6HQ5
 | | Structure of EAL Enzyme Bd1971 - cAMP and cyclic-di-GMP bound form | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CALCIUM ION, ... | | 著者 | Lovering, A.L, Cadby, I.T. | | 登録日 | 2018-09-24 | | 公開日 | 2019-07-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase.
Embo J., 38, 2019
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4QSW
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine | | 分子名称: | 1,2-ETHANEDIOL, 5-methyluridine, ATPase family AAA domain-containing protein 2, ... | | 著者 | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2014-07-06 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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