9FCQ
 
 | | CysG(N-16)-H122A mutant in complex with SAH from Kitasatospora cystarginea | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | 登録日 | 2024-05-15 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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9BDW
 | | NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA | | 分子名称: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | | 著者 | Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. | | 登録日 | 2024-04-12 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9B2H
 | | HIV-1 wild type protease with GRL-072-17A, a substituted tetrahydrofuran derivative based on Darunavir as P2 group | | 分子名称: | 2,5:6,9-dianhydro-1,3,7,8-tetradeoxy-4-O-({(2S,3R)-3-hydroxy-4-[(4-methoxybenzene-1-sulfonyl)(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamoyl)-L-gluco-nonitol, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Wang, Y.-F, Agniswamy, J, Ghosh, A.K, Weber, I.T. | | 登録日 | 2024-03-15 | | 公開日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | | 主引用文献 | Design of substituted tetrahydrofuran derivatives for HIV-1 protease inhibitors: synthesis, biological evaluation, and X-ray structural studies.
Org.Biomol.Chem., 2024
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9FCY
 | | CysG(N-16)-R21K mutant in complex with SAH from Kitasatospora cystarginea | | 分子名称: | ADENINE, CALCIUM ION, SAM-dependent methyltransferase | | 著者 | Kuttenlochner, W, Beller, P, Kaysser, L, Groll, M. | | 登録日 | 2024-05-16 | | 公開日 | 2024-08-21 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
J.Biol.Chem., 300, 2024
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9BHS
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | | 分子名称: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | | 著者 | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-21 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
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9FA6
 | | Gcase in complex with small molecule inhibitor 1 | | 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, Lysosomal acid glucosylceramidase, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9CIL
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B. | | 登録日 | 2024-07-03 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of Staphylococcal nuclease variant Delta+PHS T41V/S59A at cryogenic temperature
To Be Published
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9FAD
 | | Gcase in complex with small molecule inhibitor 1 | | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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4OO0
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9CIK
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Zhang, Y, Schlessman, J.L, SIegler, M.A, Garcia-Moreno E, B. | | 登録日 | 2024-07-03 | | 公開日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23R/L36D at cryogenic temperature
To Be Published
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9BCZ
 | | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | | 分子名称: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-10 | | 公開日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
To be published
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9FB2
 | | Gcase in complex with small molecule inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 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 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-11 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9BBH
 | | Co-crystal structure of human DDB1 bound to fragment UB028670 | | 分子名称: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | | 著者 | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-05 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Co-crystal structure of human DDB1 bound to fragment UB028670
To be published
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4OP9
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9BC4
 | | Transglutaminase 2 - Intermediate State | | 分子名称: | CALCIUM ION, GLYCEROL, HB-225 (gluten peptidomimetic TG2 inhibitor), ... | | 著者 | Sewa, A.S, Mathews, I.I, Khosla, C. | | 登録日 | 2024-04-07 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4OPR
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation | | 分子名称: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase, ... | | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | 登録日 | 2014-02-06 | | 公開日 | 2015-05-20 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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9FDI
 | | Gcase in complex with small molecule inhibitor 1 | | 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-17 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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9IMP
 | | The complex of PDZ3 and PBM | | 分子名称: | INSC spindle orientation adaptor protein, Partitioning defective 3 homolog | | 著者 | Huang, S.J. | | 登録日 | 2024-07-04 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | mInsc coordinates Par3 and NuMA condensates for assembly of the spindle orientation machinery in asymmetric cell division.
Int.J.Biol.Macromol., 279, 2024
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8YK7
 | | Structure of Rib domain from surface adhesin of Limosilactobacillus reuteri | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, SODIUM ION, ... | | 著者 | Xue, Y, Kang, X. | | 登録日 | 2024-03-04 | | 公開日 | 2024-09-11 | | 最終更新日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Crystal structure of the Rib domain of the cell-wall-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
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9EPZ
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3337 | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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4OQ0
 | | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25 | | 分子名称: | 1,2-ETHANEDIOL, 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, CALCIUM ION, ... | | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | 登録日 | 2014-02-07 | | 公開日 | 2015-05-20 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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9F1T
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4OQG
 | | Crystal structure of TEM-1 beta-lactamase in complex with boron-based inhibitor EC25 | | 分子名称: | 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid, Ampicillin resistance protein, ZINC ION | | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | | 登録日 | 2014-02-09 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
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9EPX
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331 | | 分子名称: | 1,2-ETHANEDIOL, 7-[(2-chloranyl-1,3-benzothiazol-6-yl)sulfonyl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-7-azaspiro[3.5]nonan-2-amine, Casein kinase II subunit alpha, ... | | 著者 | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2024-03-20 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3331
To Be Published
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9BKN
 | | DHODH in complex with Ligand 16 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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