6BKE
| BTK complex with compound 10 | 分子名称: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X. | 登録日 | 2017-11-08 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BIK
| BTK complex with compound 7 | 分子名称: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-02 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKH
| BTK complex with compound 11 | 分子名称: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-08 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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7ZG3
| Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 | 分子名称: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-[(1~{S})-1,2,2-trimethylcyclopropyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide | 著者 | Davies, J.R, Scaletti, E, Stenmark, P. | 登録日 | 2022-04-01 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH011228 To Be Published
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5NS9
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8A4F
| Human Interleukin-4 mutant - C3T-IL4 | 分子名称: | Interleukin-4 | 著者 | Vaz, D.C, Rodrigues, J.R, Mueller, T.D, Sebald, W, Redfield, C, Brito, R.M.M. | 登録日 | 2022-06-11 | 公開日 | 2023-10-18 | 最終更新日 | 2024-01-17 | 実験手法 | SOLUTION NMR | 主引用文献 | Lessons on protein structure from interleukin-4: All disulfides are not created equal. Proteins, 92, 2024
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7RFP
| Mouse GITR (mGITR) with DTA-1 Fab fragment | 分子名称: | DTA-1 (heavy chain), DTA-1 (light chain), Tumor necrosis factor receptor superfamily member 18,Enhanced green fluorescent protein | 著者 | Meyerson, J.R, He, C. | 登録日 | 2021-07-14 | 公開日 | 2022-03-09 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Therapeutic antibody activation of the glucocorticoid-induced TNF receptor by a clustering mechanism. Sci Adv, 8, 2022
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1OS7
| Crystal structure of TauD with iron, alpha-ketoglutarate and Taurine bound at pH 7.5 | 分子名称: | 2-AMINOETHANESULFONIC ACID, 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent taurine dioxygenase, ... | 著者 | O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N. | 登録日 | 2003-03-18 | 公開日 | 2003-09-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Substrate-Induced Conformational Changes in Escherichia coli Taurine/alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure Biochemistry, 42, 2003
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5O97
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1P57
| Extracellular domain of human hepsin | 分子名称: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE, Serine protease hepsin | 著者 | Somoza, J.R, Ho, J.D, Luong, C, Sprengeler, P.A, Mortara, K, Shrader, W.D, Sperandio, D, Chan, H, McGrath, M.E, Katz, B.A. | 登録日 | 2003-04-25 | 公開日 | 2004-01-20 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Structure of the Extracellular Region of Human Hepsin Reveals a Serine Protease Domain and a Novel Scavenger Receptor Cysteine-Rich (SRCR) Domain Structure, 11, 2003
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7ZVI
| Non-canonical Staphylococcus aureus pathogenicity island repression | 分子名称: | Orf22, Sri | 著者 | Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Marina, A, Penades, J.R. | 登録日 | 2022-05-16 | 公開日 | 2022-09-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.973 Å) | 主引用文献 | Non-canonical Staphylococcus aureus pathogenicity island repression. Nucleic Acids Res., 50, 2022
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1OTJ
| Crystal structure of APO (iron-free) TauD | 分子名称: | 2-AMINOETHANESULFONIC ACID, Alpha-Ketoglutarate-Dependent Taurine Dioxygenase, CHLORIDE ION | 著者 | O'Brien, J.R, Schuller, D.J, Yang, V.S, Dillard, B.D, Lanzilotta, W.N. | 登録日 | 2003-03-21 | 公開日 | 2003-09-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Substrate-induced conformational changes in Escherichia coli taurine/alpha-ketoglutarate dioxygenase and insight into the oligomeric structure Biochemistry, 42, 2003
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5N93
| TTK kinase domain in complex with TC-Mps1-12 | 分子名称: | 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide, Dual specificity protein kinase TTK | 著者 | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | 登録日 | 2017-02-24 | 公開日 | 2017-05-31 | 最終更新日 | 2017-08-23 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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6BLW
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6BKW
| BTK complex with compound 12 | 分子名称: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | 著者 | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | 登録日 | 2017-11-09 | 公開日 | 2018-11-07 | 最終更新日 | 2019-03-27 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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5N8Y
| KaiCBA circadian clock backbone model based on a Cryo-EM density | 分子名称: | Circadian clock protein KaiA, Circadian clock protein KaiB, Circadian clock protein kinase KaiC | 著者 | Schuller, J.M, Snijder, J, Loessl, P, Heck, A.J.R, Foerster, F. | 登録日 | 2017-02-24 | 公開日 | 2017-03-29 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Structures of the cyanobacterial circadian oscillator frozen in a fully assembled state. Science, 355, 2017
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5N84
| TTK kinase domain in complex with Mps-BAY2b | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, Dual specificity protein kinase TTK, SODIUM ION, ... | 著者 | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | 登録日 | 2017-02-22 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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7S0F
| Isoproterenol bound beta1 adrenergic receptor in complex with heterotrimeric Gi protein | 分子名称: | Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Paknejad, N, Alegre, K.O, Su, M, Lou, J.S, Huang, J, Jordan, K.D, Eng, E.T, Meyerson, J.R, Hite, R.K, Huang, X.Y. | 登録日 | 2021-08-30 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | 主引用文献 | Structural basis and mechanism of activation of two different families of G proteins by the same GPCR. Nat.Struct.Mol.Biol., 28, 2021
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7S0G
| Isoproterenol bound beta1 adrenergic receptor in complex with heterotrimeric Gi/s chimera protein | 分子名称: | Beta1-Adrenergic Receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Paknejad, N, Alegre, K.O, Su, M, Lou, J.S, Huang, J, Jordan, K.D, Eng, E.T, Meyerson, J.R, Hite, R.K, Huang, X.Y. | 登録日 | 2021-08-30 | 公開日 | 2021-11-17 | 最終更新日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | 主引用文献 | Structural basis and mechanism of activation of two different families of G proteins by the same GPCR. Nat.Struct.Mol.Biol., 28, 2021
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1LV3
| Solution NMR Structure of Zinc Finger Protein yacG from Escherichia coli. Northeast Structural Genomics Consortium Target ET92. | 分子名称: | HYPOTHETICAL PROTEIN YacG, ZINC ION | 著者 | Ramelot, T.A, Cort, J.R, Yee, A.A, Semesi, A, Edwards, A.M, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2002-05-24 | 公開日 | 2002-09-11 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | NMR structure of the Escherichia coli protein YacG: a novel sequence motif in the zinc-finger family of proteins. Proteins, 49, 2002
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7SEG
| Crystal structure of the complex of CD16A bound by an anti-CD16A Fab | 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, GLYCEROL, ... | 著者 | Kiefer, J.R, Wallweber, H.A, Polson, A.G. | 登録日 | 2021-09-30 | 公開日 | 2021-11-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.156 Å) | 主引用文献 | A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma. Leukemia, 36, 2022
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7Z5R
| Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 | 分子名称: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide, N-glycosylase/DNA lyase, NICKEL (II) ION | 著者 | Davies, J.R, Scaletti, E, Stenmark, P. | 登録日 | 2022-03-09 | 公開日 | 2023-03-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH012035 To Be Published
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7R7P
| Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6) | 分子名称: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | 著者 | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | 登録日 | 2021-06-25 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-15 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun, 14, 2023
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7R7Q
| Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6) | 分子名称: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | 著者 | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | 登録日 | 2021-06-25 | 公開日 | 2023-02-15 | 最終更新日 | 2024-05-15 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun, 14, 2023
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7ZCJ
| Crystal structure of Pizza6-TNH-TSH with Silicotungstic Acid (STA) polyoxometalate | 分子名称: | Keggin (STA), Pizza6-TNH-TSH | 著者 | Wouters, S.M.L, Kamata, K, Takahashi, K, Vandebroek, L, Parac-Vogt, T.N, Tame, J.R.H, Voet, A.R.D. | 登録日 | 2022-03-28 | 公開日 | 2023-04-19 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Mutational study of a symmetry matched protein-polyoxometalate interface To be published
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