6FPH
 
 | | The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1h | | 分子名称: | 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Levy, C.W, Leys, D. | | 登録日 | 2018-02-09 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
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7TUW
 | | LH2-LH3 antenna in anti parallel configuration embedded in a nanodisc | | 分子名称: | BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ... | | 著者 | Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y. | | 登録日 | 2022-02-03 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (8.2 Å) | | 主引用文献 | Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6YXO
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4YEU
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6QH5
 | | AP2 clathrin adaptor mu2T156-phosphorylated core in closed conformation | | 分子名称: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | | 著者 | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | | 登録日 | 2019-01-15 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation.
Dev.Cell, 50, 2019
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4YJS
 | | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226 | | 分子名称: | 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol, Tyrosine-protein kinase SYK | | 著者 | Somers, D.O. | | 登録日 | 2015-03-03 | | 公開日 | 2015-09-30 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.
Bioorg. Med. Chem. Lett., 21, 2011
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7U01
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6QAW
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6YXP
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6W85
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5GS0
 | | Crystal structure of the complex of TLR3 and bi-specific diabody | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 3, alpha-D-mannopyranose, ... | | 著者 | Kim, J.H, Song, D.H, Youn, S.J, Kim, J.W, Cho, G, Lee, H, Lee, J.O. | | 登録日 | 2016-08-13 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.275 Å) | | 主引用文献 | Crystal structure of mono- and bi-specific diabodies and reduction of their structural flexibility by introduction of disulfide bridges at the Fv interface.
Sci Rep, 6, 2016
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6SUW
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6CQW
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.278 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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8FCB
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with GSK1016790A | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHOLESTEROL HEMISUCCINATE, N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, ... | | 著者 | Kwon, D.H, Lee, S.-Y, Zhang, F. | | 登録日 | 2022-12-01 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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6ZDP
 | | Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA | | 分子名称: | Chains: B, POTASSIUM ION, Telomerase reverse transcriptase | | 著者 | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | | 登録日 | 2020-06-15 | | 公開日 | 2021-04-28 | | 最終更新日 | 2021-05-12 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
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6QGK
 | | Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound | | 分子名称: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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8FCO
 | | Cryo-EM structure of p97:UBXD1 meta state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6 | | 著者 | Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R. | | 登録日 | 2022-12-01 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | ELECTRON MICROSCOPY (3.31 Å) | | 主引用文献 | The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
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8U31
 | | Crystal structure of PD-1 in complex with a Fab | | 分子名称: | Fab heavy chain, Fab light chain, GLYCEROL, ... | | 著者 | Sun, D, Masureel, M. | | 登録日 | 2023-09-07 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Structure- and machine learning-guided engineering demonstrate that a non-canonical disulfide in an anti-PD-1 rabbit antibody does not impede antibody developability.
Mabs, 16, 2024
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7P81
 | | Crystal structure of ClpP from Bacillus subtilis in complex with ADEP2 (compact state) | | 分子名称: | ADEP2, ATP-dependent Clp protease proteolytic subunit | | 著者 | Lee, B.-G, Kim, L, Kim, M.K, Kwon, D.H, Song, H.K. | | 登録日 | 2021-07-21 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Structural insights into ClpP protease side exit pore-opening by a pH drop coupled with substrate hydrolysis.
Embo J., 41, 2022
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6SWS
 | | The DBB dimerization domain of B-cell adaptor for PI3K (BCAP) is required for down regulation of inflammatory signalling through the Toll-like receptor pathway | | 分子名称: | Phosphoinositide 3-kinase adapter protein 1 | | 著者 | Lauenstein, J.U, Scherm, M.J, Udgata, A, Moncrieffe, M.C, Fisher, D, Gay, N.J. | | 登録日 | 2019-09-23 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Negative Regulation of TLR Signaling by BCAP Requires Dimerization of Its DBB Domain.
J Immunol., 204, 2020
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5LRU
 | | Structure of Cezanne/OTUD7B OTU domain | | 分子名称: | OTU domain-containing protein 7B | | 著者 | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | | 登録日 | 2016-08-22 | | 公開日 | 2016-10-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
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6CQY
 | | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with EMPA and HI-6 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | | 登録日 | 2018-03-16 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6.
Chem. Res. Toxicol., 31, 2018
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8PJI
 | | MLLT1 in complex with compound 10a | | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ... | | 著者 | Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C. | | 登録日 | 2023-06-23 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
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4WGX
 | | Crystal Structure of Molinate Hydrolase | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, COBALT (II) ION, Molinate hydrolase | | 著者 | Sugrue, E, Carr, P.D, Fraser, N.J, Hopkins, D.H, Jackson, C.J. | | 登録日 | 2014-09-19 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
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5JTU
 | | Crystal structure of GPb in complex with 8b | | 分子名称: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | 登録日 | 2016-05-09 | | 公開日 | 2016-08-24 | | 最終更新日 | 2018-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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