7ZHN
 
 | | Crystal structure of TTBK1 in complex with AMG28 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-04-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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6HTF
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7ZGL
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5EKI
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7ZHQ
 | | Crystal structure of TTBK1 in complex with compound 10 (7-009) | | 分子名称: | (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-04-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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7ZHO
 | | Crystal structure of TTBK1 in complex with compound 3 (7-001) | | 分子名称: | 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-04-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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6HAL
 | | Human carbonmonoxy hemoglobin SFX dataset | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | | 登録日 | 2018-08-07 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
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7ZHP
 | | Crystal structure of TTBK1 in complex with compound 9 (7-005) | | 分子名称: | 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-04-06 | | 公開日 | 2023-04-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
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5EEA
 | | Structure of HOXB13-DNA(CAA) complex | | 分子名称: | DNA (5'-D(P*GP*GP*AP*CP*CP*CP*AP*AP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*TP*TP*GP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13 | | 著者 | Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J. | | 登録日 | 2015-10-22 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | | 主引用文献 | Two distinct DNA sequences recognized by transcription factors represent enthalpy and entropy optima.
Elife, 7, 2018
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6HBL
 | | Echovirus 18 Open particle without three pentamers | | 分子名称: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | | 著者 | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | | 登録日 | 2018-08-10 | | 公開日 | 2019-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
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6GQY
 | | KRAS-169 Q61H GPPNHP + CH-3 | | 分子名称: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | 著者 | Cruz-Migoni, A, Quevedo, C.E, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. | | 登録日 | 2018-06-08 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6VD4
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6GFA
 | | Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein 105 kDa, MAGNESIUM ION | | 著者 | Gonzalez, D, Gotthard, G, Gozzi, G.J, Seigneuric, R, Neiers, F, Briand, L, Garrido, C. | | 登録日 | 2018-04-29 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Selecting the first chemical molecule inhibitor of HSP110 for colorectal cancer therapy.
Cell Death Differ., 27, 2020
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3EL2
 | | Crystal Structure of Monomeric Actin Bound to Ca-ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION | | 著者 | Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M. | | 登録日 | 2008-09-19 | | 公開日 | 2008-10-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
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3EMY
 | | Crystal structure of Trichoderma reesei aspartic proteinase complexed with pepstatin A | | 分子名称: | Pepstatin, Trichoderma reesei Aspartic protease | | 著者 | Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I. | | 登録日 | 2008-09-25 | | 公開日 | 2008-10-07 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Statistical coupling analysis of aspartic proteinases based on crystal
structures of the Trichoderma reesei enzyme and its complex with pepstatin A.
J.Mol.Biol., 382, 2008
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3EG2
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6GJH
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3EOX
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3EGZ
 | | Crystal structure of an in vitro evolved tetracycline aptamer and artificial riboswitch | | 分子名称: | 7-CHLOROTETRACYCLINE, MAGNESIUM ION, Tetracycline aptamer and artificial riboswitch, ... | | 著者 | Xiao, H, Edwards, T.E, Ferre-D'Amare, A.R. | | 登録日 | 2008-09-11 | | 公開日 | 2008-10-28 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for specific, high-affinity tetracycline binding by an in vitro evolved aptamer and artificial riboswitch
Chem.Biol., 15, 2008
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3EH9
 | | Crystal structure of death associated protein kinase complexed with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, SULFATE ION | | 著者 | McNamara, L.K, Watterson, D.M, Brunzelle, J.S. | | 登録日 | 2008-09-11 | | 公開日 | 2009-04-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
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5EQM
 | | Crystal structure of murine neuroglobin at 310 MPa pressure | | 分子名称: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | 著者 | Colloc'h, N, Girard, E, Vallone, B, Prange, T. | | 登録日 | 2015-11-13 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography.
Sci Rep, 7, 2017
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5EDT
 | | Crystal structure of Mycobacterium tuberculosis CYP121 in complex with LIG9 | | 分子名称: | 2-azanyl-5-chloranyl-benzamide, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Kavanagh, M.E, Coyne, A.G, McLean, K.J, James, G.G, Levy, C, Marino, L.B, Carvalho, L.P.D, Chan, D.S.H, Hudson, S.A, Surade, S, Munro, A.W, Abell, C. | | 登録日 | 2015-10-22 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
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8B49
 | | STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT (m-toluoylcarbonyl group) OF A 5-AZAINDOLE INHIBITOR | | 分子名称: | 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile, CALCIUM ION, Chymotrypsin-like elastase family member 1, ... | | 著者 | Ferraroni, M, Giovannoni, P, Gerace, A. | | 登録日 | 2022-09-20 | | 公開日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
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6GMD
 | | The crystal structure of CK2alpha in complex with compound 3 | | 分子名称: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, ... | | 著者 | Brear, P, Iegre, J, North, A, De Fusco, C, Georgiou, K, Lubin, A, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2018-05-25 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Novel non-ATP competitive small molecules targeting the CK2 alpha / beta interface.
Bioorg. Med. Chem., 26, 2018
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8BO4
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 1 | | 分子名称: | 4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, GLYCEROL | | 著者 | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, M, Lang, D, Heitmeier, S, Hillisch, A. | | 登録日 | 2022-11-14 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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