6XH1
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6I5H
| Crystal structure of CLK1 in complex with furanopyrimidin VN412 | 分子名称: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ... | 著者 | Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-11-13 | 公開日 | 2019-01-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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8XBG
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5ZFZ
| Crystal structure of human DUX4 homeodomains bound to A12T DNA mutant | 分子名称: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*TP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*AP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4-like protein 4 | 著者 | Li, Y.Y, Wu, B.X, Gan, J.H. | 登録日 | 2018-03-07 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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5Z9J
| Identification of the functions of unusual cytochrome p450-like monooxygenases involved in microbial secondary metablism | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like enzyme, TRIS(HYDROXYETHYL)AMINOMETHANE | 著者 | Lu, M, Lin, L, Zhang, C, Chen, Y. | 登録日 | 2018-02-03 | 公開日 | 2019-02-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Riboflavin Is Directly Involved in the N-Dealkylation Catalyzed by Bacterial Cytochrome P450 Monooxygenases. Chembiochem, 2020
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6NV9
| BACE1 in complex with a macrocyclic inhibitor | 分子名称: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | 登録日 | 2019-02-04 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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6NW3
| BACE1 in complex with a macrocyclic inhibitor | 分子名称: | Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION | 著者 | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | 登録日 | 2019-02-05 | 公開日 | 2019-10-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.352 Å) | 主引用文献 | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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6I1C
| Crystal structure of Chlamydomonas reinhardtii thioredoxin f2 | 分子名称: | thioredoxin f2 | 著者 | Lemaire, S.D, Tedesco, D, Crozet, P, Michelet, L, Fermani, S, Zaffagnini, M, Henri, J. | 登録日 | 2018-10-28 | 公開日 | 2018-12-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Crystal Structure of Chloroplastic Thioredoxin f2 fromChlamydomonas reinhardtiiReveals Distinct Surface Properties. Antioxidants (Basel), 7, 2018
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5YV9
| Structure of CaMKK2 in complex with CKI-009 | 分子名称: | 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ... | 著者 | Niwa, H, Handa, N, Yokoyama, S. | 登録日 | 2017-11-24 | 公開日 | 2018-12-05 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method. J.Mol.Graph.Model., 99, 2020
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6I2H
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6XLW
| Crystal structure of U2AF65 bound to AdML splice site sequence | 分子名称: | DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(P*UP*UP*(UD)P*UP*U)-D(P*(BRU))-R(P*CP*C)-3'), GLYCEROL, ... | 著者 | Maji, D, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2020-06-29 | 公開日 | 2020-10-07 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Representative cancer-associated U2AF2 mutations alter RNA interactions and splicing. J.Biol.Chem., 295, 2020
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5ZIQ
| Crystal structure of hexacoordinated heme protein from anhydrobiotic tardigrade at pH 4 | 分子名称: | 1,2-ETHANEDIOL, Globin protein, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Kim, J, Fukuda, Y, Inoue, T. | 登録日 | 2018-03-16 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Crystal structure of Kumaglobin: a hexacoordinated heme protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus. FEBS J., 286, 2019
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6N3E
| Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | 分子名称: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | 著者 | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2018-11-15 | 公開日 | 2019-01-02 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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5ZLH
| Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | 著者 | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | 登録日 | 2018-03-28 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
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8PI2
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8F7U
| Macrocyclic Plasmin Inhibitor | 分子名称: | (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide, Activation peptide, GLYCEROL, ... | 著者 | Guojie, W. | 登録日 | 2022-11-20 | 公開日 | 2023-02-08 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclicplasmin inhibitors Chemmedchem, 2023
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6XU5
| Human myelin protein P2 mutant N2D | 分子名称: | CITRIC ACID, Myelin P2 protein, PALMITIC ACID | 著者 | Ruskamo, S, Lehtimaki, M, Kursula, P. | 登録日 | 2020-01-17 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice. J.Biol.Chem., 295, 2020
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8FXQ
| The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design. | 分子名称: | ALA-CYS-VAL-LYS, CYCLOHEXANE, Rhizopuspepsin, ... | 著者 | Satyshur, K.A, Rich, D.H, Ripka, A.S. | 登録日 | 2023-01-25 | 公開日 | 2023-02-08 | 最終更新日 | 2024-10-09 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Aspartic protease inhibitors designed from computer-generated templates bind as predicted. Org Lett, 3, 2001
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8PFV
| X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DAniF)(O2CCH3)3] in condition A | 分子名称: | 9,11-bis(4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, CHLORIDE ION, Lysozyme C, ... | 著者 | Teran, A, Ferraro, G, Merlino, A. | 登録日 | 2023-06-16 | 公開日 | 2023-07-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes Inorg Chem Front, 2023
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8PFU
| X-ray structure of the adduct formed upon reaction of Lysozyme with K3[Ru2(CO3)4] in condition A | 分子名称: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CARBONATE ION, Lysozyme C, ... | 著者 | Teran, A, Ferraro, G, Merlino, A. | 登録日 | 2023-06-16 | 公開日 | 2023-07-19 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes Inorg Chem Front, 2023
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8PFY
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8PFT
| X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(D-p-FPhF)(CO3)3] in condition A | 分子名称: | 6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one, CHLORIDE ION, Lysozyme C, ... | 著者 | Teran, A, Ferraro, G, Merlino, A. | 登録日 | 2023-06-16 | 公開日 | 2023-07-19 | 実験手法 | X-RAY DIFFRACTION (1.304 Å) | 主引用文献 | Charge effect in protein metalation reactions by diruthenium complexes Inorg Chem Front, 2023
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5YZF
| X-ray crystal structure of met K42C sperm whale myoglobin | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, sperm whale myoglobin | 著者 | Yuan, H. | 登録日 | 2017-12-14 | 公開日 | 2018-03-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Formation of Cys-heme cross-link in K42C myoglobin under reductive conditions with molecular oxygen J. Inorg. Biochem., 182, 2018
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8F7V
| Macrocyclic plasmin inhibitor | 分子名称: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, GLYCEROL, Plasminogen, ... | 著者 | Guojie, W. | 登録日 | 2022-11-20 | 公開日 | 2023-02-08 | 最終更新日 | 2023-06-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Synthesis and structural characterization of new macrocyclicplasmin inhibitors Chemmedchem, 2023
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8PFW
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