4YND
 
 | | The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2 | | 分子名称: | N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | | 著者 | Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N. | | 登録日 | 2015-03-09 | | 公開日 | 2015-05-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
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3KM2
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5DEN
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4YVD
 | | Crytsal structure of human Pleiotropic Regulator 1 (PRL1) | | 分子名称: | CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ... | | 著者 | Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-19 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
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6PU0
 | | Pigeon Cryptochrome4 bound to flavin adenine dinucleotide | | 分子名称: | 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | 登録日 | 2019-07-16 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8979 Å) | | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6PTZ
 | | Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide | | 分子名称: | Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S. | | 登録日 | 2019-07-16 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.793 Å) | | 主引用文献 | Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6Q5B
 | | OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ... | | 著者 | Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O. | | 登録日 | 2018-12-07 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
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2BUC
 | | Crystal Structure Of Porcine Dipeptidyl Peptidase IV (CD26) in Complex with a Tetrahydroisoquinoline Inhibitor | | 分子名称: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE, 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 | Nordhoff, S, Cerezo-Galvez, S, Feurer, A, Hill, O, Matassa, V.G, Metz, G, Rummey, C, Thiemann, M, Edwards, P.J. | | 登録日 | 2005-06-09 | | 公開日 | 2006-01-23 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.
Bioorg. Med. Chem. Lett., 16, 2006
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6Q5F
 | | OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance | | 分子名称: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O. | | 登録日 | 2018-12-08 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
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2BU6
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | 分子名称: | (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE, PYRUVATE DEHYDROGENASE KINASE ISOENZYME 2 | | 著者 | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | 登録日 | 2005-06-08 | | 公開日 | 2006-02-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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2CMB
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | 分子名称: | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-5-YL)-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1, octyl beta-D-glucopyranoside | | 著者 | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-04 | | 公開日 | 2006-08-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2CNI
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | 分子名称: | MAGNESIUM ION, METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | 著者 | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-21 | | 公開日 | 2006-09-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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2O26
 | | Structure of a class III RTK signaling assembly | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Kit ligand, Mast/stem cell growth factor receptor, ... | | 著者 | Liu, H, Chen, X, Focia, P.J, He, X. | | 登録日 | 2006-11-29 | | 公開日 | 2007-03-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for stem cell factor-KIT signaling and activation of class III receptor tyrosine kinases.
Embo J., 26, 2007
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6QLB
 | | Calpain small subunit 1, RNA-binding protein Hfq | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CALCIUM ION, ... | | 著者 | Rizkallah, P.J, Cresser-Brown, J.O. | | 登録日 | 2019-01-31 | | 公開日 | 2020-02-05 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Calpain small subunit 1, RNA-binding protein Hfq
Acta Crystallogr.,Sect.F, 2020
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2CM3
 | | Structure of Protein Tyrosine Phosphatase 1B (C2) | | 分子名称: | CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | 著者 | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-04 | | 公開日 | 2006-08-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2CMA
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | 分子名称: | N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | 著者 | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | 登録日 | 2006-05-04 | | 公開日 | 2006-08-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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2E6W
 | | Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin | | 分子名称: | CALCIUM ION, Calsenilin | | 著者 | Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T. | | 登録日 | 2007-01-05 | | 公開日 | 2007-11-27 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin.
Protein Sci., 16, 2007
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3HOG
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6FR4
 | | 003 TCR Study of CDR Loop Flexibility | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K. | | 登録日 | 2018-02-15 | | 公開日 | 2018-04-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
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6QPM
 | | Adenovirus serotype 10 Fiber-Knob | | 分子名称: | Fiber protein | | 著者 | Baker, A.T, Rizkallah, P.J. | | 登録日 | 2019-02-14 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.39 Å) | | 主引用文献 | Development of a low-seroprevalence, alpha v beta 6 integrin-selective virotherapy based on human adenovirus type 10.
Mol Ther Oncolytics, 25, 2022
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1H91
 | | The crystal structure of lobster apocrustacyanin A1 using softer X-rays. | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CRUSTACYANIN A1 SUBUNIT | | 著者 | Cianci, M, Rizkallah, P.J, Olczak, A, Raftery, J, Chayen, N.E, Zagalsky, P.F, Helliwell, J.R. | | 登録日 | 2001-02-21 | | 公開日 | 2001-09-06 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure of Lobster Apocrustacyanin A1 Using Softer X-Rays
Acta Crystallogr.,Sect.D, 57, 2001
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4WQ2
 | | Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound | | 分子名称: | (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Adams, S.E, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K. | | 登録日 | 2014-10-21 | | 公開日 | 2015-09-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
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2BU8
 | | crystal structures of human pyruvate dehydrogenase kinase 2 containing physiological and synthetic ligands | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, DICHLORO-ACETIC ACID, MAGNESIUM ION, ... | | 著者 | Knoechel, T.R, Tucker, A.D, Robinson, C.M, Phillips, C, Taylor, W, Bungay, P.J, Kasten, S.A, Roche, T.E, Brown, D.G. | | 登録日 | 2005-06-08 | | 公開日 | 2006-02-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Regulatory Roles of the N-Terminal Domain Based on Crystal Structures of Human Pyruvate Dehydrogenase Kinase 2 Containing Physiological and Synthetic Ligands.
Biochemistry, 45, 2006
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4WH5
 | | Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, lincomycin-bound | | 分子名称: | CHLORIDE ION, LINCOMYCIN, Lincosamide resistance protein, ... | | 著者 | Stogios, P.J, Dong, A, Minasov, G, Evdokimova, E, Egorova, O, Kudritska, M, Yim, O, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2014-09-20 | | 公開日 | 2014-11-05 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF LINCOSAMIDE ANTIBIOTIC ADENYLYLTRANSFERASE LNUA, LINCOMYCIN BOUND
To Be Published
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8Q3E
 | | High Resolution Structure of Nucleosome Core with Bound Foamy Virus GAG Peptide | | 分子名称: | DNA (145-MER), GLY-GLY-TYR-ASN-LEU-ARG-PRO-ARG-THR-TYR-GLN-PRO-GLN-ARG-TYR-GLY-GLY-GLY, Histone H2A type 1-B/E, ... | | 著者 | De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. | | 登録日 | 2023-08-04 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Viral peptide conjugates for metal-warhead delivery to chromatin.
Rsc Adv, 14, 2024
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