4UMZ
 
 | | PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate group | | 分子名称: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 2-[(dimethylamino)methyl]benzoate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Podust, L.M, Vieira, D.F. | | 登録日 | 2014-05-22 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Recognition of Synthetic Substrates by P450 Pikc
To be Published
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5ZQR
 | | Tankyrase-2 in complex with compound 40c | | 分子名称: | 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-04-19 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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6KZS
 | | Crystal structure of cytochrome P450mel 107F1 in complex with heme and imidazole | | 分子名称: | Cytochrome P-450, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | 登録日 | 2019-09-25 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | | 主引用文献 | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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6RJP
 | | Bfl-1 in complex with alpha helical peptide | | 分子名称: | Bcl-2-like protein 11, Bcl-2-related protein A1 | | 著者 | Baggio, C, Gambini, L, Udompholkul, P, Salem, A.F, Hakansson, M, Jossart, J, Perry, J, Pellecchia, M. | | 登録日 | 2019-04-29 | | 公開日 | 2019-10-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | | 主引用文献 | N-locking stabilization of covalent helical peptides: Application to Bfl-1 antagonists.
Chem.Biol.Drug Des., 95, 2020
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4WP8
 | | Crystal structure of Adenylyl cyclase Ma1120 from Mycobacterium Avium in complex with 2'5'-DD-3'-ATP and Manganese ion | | 分子名称: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate), CHLORIDE ION, MANGANESE (II) ION, ... | | 著者 | Barathy, D.V, Bharambe, N.G, Suguna, K. | | 登録日 | 2014-10-17 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Autoinhibitory mechanism and activity-related structural changes in a mycobacterial adenylyl cyclase
J.Struct.Biol., 190, 2015
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4UMF
 | | Crystal structure of 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Moraxella catarrhalis in complex with Magnesium ion, Phosphate ion and KDO molecule | | 分子名称: | 3-DEOXY-D-MANNO-OCTULOSONATE 8-PHOSPHATE PHOSPHATASE KDSC, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, ... | | 著者 | Dhindwal, S, Tomar, S, Kumar, P. | | 登録日 | 2014-05-16 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Ligand-Bound Structures of 3-Deoxy-D-Manno-Octulosonate 8-Phosphate Phosphatase from Moraxella Catarrhalis Reveal a Water Channel Connecting to the Active Site for the Second Step of Catalysis
Acta Crystallogr.,Sect.D, 71, 2015
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6LAA
 | | Crystal structure of full-length CYP116B46 from Tepidiphilus thermophilus | | 分子名称: | 1,2-ETHANEDIOL, CARBONATE ION, Cytochrome P450, ... | | 著者 | Zhang, L.L, Ko, T.P, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
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4UMX
 | | IDH1 R132H in complex with cpd 1 | | 分子名称: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | | 著者 | Mathieu, M, Marquette, J.P. | | 登録日 | 2014-05-22 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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6LB8
 | | Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex | | 分子名称: | Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1 | | 著者 | Wu, W, Shen, Q, Zheng, J, Jia, Z. | | 登録日 | 2019-11-13 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.283 Å) | | 主引用文献 | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter.
Embo J., 39, 2020
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6LD0
 | | Structure of Bifidobacterium dentium beta-glucuronidase complexed with C6-hexyl uronic isofagomine | | 分子名称: | (2~{S},3~{S},4~{R},5~{R})-2-hexyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid, LacZ1 Beta-galactosidase | | 著者 | Lin, H.-Y, Hsieh, T.-J, Lin, C.-H. | | 登録日 | 2019-11-20 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Entropy-driven binding of gut bacterial beta-glucuronidase inhibitors ameliorates irinotecan-induced toxicity.
Commun Biol, 4, 2021
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8EI4
 | | Crystal structure of the WWP1 HECT domain in complex with H302, a Helicon Polypeptide | | 分子名称: | 1,2-ETHANEDIOL, H302, N,N'-(1,4-phenylene)diacetamide, ... | | 著者 | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | 登録日 | 2022-09-14 | | 公開日 | 2023-10-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
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4UB9
 | | Structural and catalytic characterization of molinate hydrolase | | 分子名称: | Molinate hydrolase, ZINC ION | | 著者 | Leite, J.P, Duarte, M, Paiva, A, Ferreira-da-Silva, F, Matias, P.M, Nunes, O, Gales, L. | | 登録日 | 2014-08-12 | | 公開日 | 2015-06-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-guided engineering of molinate hydrolase for the degradation of thiocarbamate pesticides.
Plos One, 10, 2015
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4UHI
 | | HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP | | 分子名称: | N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | 著者 | Hargrove, T.Y, Wawrzak, Z, I Lepesheva, G. | | 登録日 | 2015-03-24 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
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4WZX
 | | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins | | 分子名称: | COBALT (II) ION, IST1 homolog, SULFATE ION, ... | | 著者 | Caballe, A, Wenzel, D.M, Agromayor, M, Alam, S.L, Skalicky, J.J, Kloc, M, Carlton, J.G, Labrador, L, Sundquist, W.I, Martin-Serrano, J. | | 登録日 | 2014-11-20 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.3859 Å) | | 主引用文献 | ULK3 regulates cytokinetic abscission by phosphorylating ESCRT-III proteins.
Elife, 4, 2015
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8DYD
 | | Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | 登録日 | 2022-08-04 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
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8DYE
 | | Crystal structure of human SDHA-SDHAF4 assembly intermediate | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | | 登録日 | 2022-08-04 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
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6KWS
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6RIR
 | | Crystal structure of phosphorylated Rab8a in complex with the Rab-binding domain of RILPL2 | | 分子名称: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Waschbusch, D, Purlyte, E, Alessi, D.R, Khan, A.R. | | 登録日 | 2019-04-25 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.767 Å) | | 主引用文献 | Structural Basis for Rab8a Recruitment of RILPL2 via LRRK2 Phosphorylation of Switch 2.
Structure, 28, 2020
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8E5C
 | | Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | 著者 | Shaqra, A.M, Schiffer, C.A. | | 登録日 | 2022-08-20 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
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8DT9
 | | Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ... | | 著者 | Shaqra, A.M, Schiffer, C.A. | | 登録日 | 2022-07-25 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.
Acs Infect Dis., 10, 2024
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6KOF
 | | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) in complex with compound 47 | | 分子名称: | 1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Peng, Y.H, Wu, S.Y. | | 登録日 | 2019-08-09 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.263 Å) | | 主引用文献 | Unique Sulfur-Aromatic Interactions Contribute to the Binding of Potent Imidazothiazole Indoleamine 2,3-Dioxygenase Inhibitors.
J.Med.Chem., 63, 2020
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6A84
 | | Tankyrase-2 in complex with compound 15d | | 分子名称: | 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | 登録日 | 2018-07-06 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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8E4W
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6RFO
 | | ERK2 MAP kinase with the activation loop of p38alpha | | 分子名称: | Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 | | 著者 | Livnah, O, Eitan-Wexler, M. | | 登録日 | 2019-04-15 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop.
J.Biol.Chem., 295, 2020
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6KZT
 | | Crystal structure of cytochrome P450mel 107F1 with biaryl coupling reactivity | | 分子名称: | Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hou, X.D, Rao, Y.J, Icyishaka, P, Li, C.X, Lou, J.L. | | 登録日 | 2019-09-25 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Crystallization and X-ray analysis of cytochrome P450mel 107F1 with biaryl coupling reactivity
To Be Published
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