8A1Q
 
 | | HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor STP0404 (Pirmitegravir) | | 分子名称: | (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, 1,2-ETHANEDIOL, Integrase, ... | | 著者 | Singer, M.R, Pye, V.E, Cook, N.J, Cherepanov, P. | | 登録日 | 2022-06-01 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The Drug-Induced Interface That Drives HIV-1 Integrase Hypermultimerization and Loss of Function.
Mbio, 14, 2023
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7AQL
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8A71
 | | Crystal structure of right-handed Z-DNA containing 2'-deoxy-L-ribose in complex with the polyamine cadaverine and potassium cations at ultrahigh resolution | | 分子名称: | 5-azaniumylpentylazanium, POTASSIUM ION, Right-handed Z-DNA | | 著者 | Drozdzal, P, Manszewski, T, Gilski, M, Brzezinski, K, Jaskolski, M. | | 登録日 | 2022-06-20 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (0.69 Å) | | 主引用文献 | Right-handed Z-DNA at ultrahigh resolution: a tale of two hands and the power of the crystallographic method.
Acta Crystallogr D Struct Biol, 79, 2023
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7V05
 | | Complex of Plasmodium falciparum circumsporozoite protein with 850 Fab | | 分子名称: | 850 Fab Heavy Chain, 850 Fab Light Chain, Circumsporozoite protein | | 著者 | Kucharska, I, Prieto, K, Rubinstein, J.L, Julien, J.P. | | 登録日 | 2022-05-09 | | 公開日 | 2022-11-23 | | 最終更新日 | 2022-12-14 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | High-density binding to Plasmodium falciparum circumsporozoite protein repeats by inhibitory antibody elicited in mouse with human immunoglobulin repertoire.
Plos Pathog., 18, 2022
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5MEF
 | | Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F | | 分子名称: | Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ... | | 著者 | Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I. | | 登録日 | 2016-11-14 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.357 Å) | | 主引用文献 | Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
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6UVE
 | | Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | | 分子名称: | (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1 | | 著者 | Roy, M.J, Lessene, G, Czabotar, P.E. | | 登録日 | 2019-11-02 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
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2JNZ
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | 分子名称: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2016-03-29 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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1WAP
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5MH5
 | | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution) | | 分子名称: | 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ... | | 著者 | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | | 登録日 | 2016-11-23 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
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3IXN
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3IYP
 | | The Interaction of Decay-accelerating Factor with Echovirus 7 | | 分子名称: | Capsid protein, Complement decay-accelerating factor, LAURIC ACID, ... | | 著者 | Plevka, P, Hafenstein, S, Zhang, Y, Harris, K.G, Cifuente, J.O, Bowman, V.D, Chipman, P.R, Lin, F, Medof, D.E, Bator, C.M, Rossmann, M.G. | | 登録日 | 2010-04-07 | | 公開日 | 2010-11-24 | | 最終更新日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | | 主引用文献 | Interaction of decay-accelerating factor with echovirus 7.
J.Virol., 84, 2010
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6GRK
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4XNL
 | | X-ray structure of AlgE2 | | 分子名称: | (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | 著者 | Ma, P, Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M. | | 登録日 | 2015-01-15 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
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6GN3
 | | Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n | | 分子名称: | CHLORIDE ION, COBALT (II) ION, DNA (5'-D(*CP*CP*CP*GP*GP*G)-3'), ... | | 著者 | Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I. | | 登録日 | 2018-05-29 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Racemic crystal structures of A-DNA duplexes.
Acta Crystallogr D Struct Biol, 78, 2022
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6PPW
 | | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | | 分子名称: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | | 著者 | Rosanally, A.Z, Junop, M.S, Berti, P.J. | | 登録日 | 2019-07-08 | | 公開日 | 2019-10-02 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
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7ZJY
 | | The NMR structure of the MAX67 effector from Magnaporthe Oryzae | | 分子名称: | MAX effector protein | | 著者 | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
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7ZK0
 | | The NMR structure of the MAX60 effector from Magnaporthe Oryzae | | 分子名称: | MAX effector protein | | 著者 | Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P. | | 登録日 | 2022-04-12 | | 公開日 | 2023-04-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | 1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
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4XOA
 | | Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1 | | 分子名称: | FimG, Protein FimH | | 著者 | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | | 登録日 | 2015-01-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.541 Å) | | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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6GUY
 | | Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation | | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Moraes, I, Judge, P.J, Axford, D, Bada Juarez, J.F, Vinals, J, Watts, A. | | 登録日 | 2018-06-19 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation
To Be Published
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8WCC
 | | Cryo-EM structure of the CHA-bound mTAAR1 complex | | 分子名称: | CYCLOHEXYLAMMONIUM ION, Trace amine-associated receptor 1 | | 著者 | Rong, N.K, Guo, L.L, Zhang, M.H, Li, Q, Yang, F, Sun, J.P. | | 登録日 | 2023-09-11 | | 公開日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | | 主引用文献 | Structural and signaling mechanisms of TAAR1 enabled preferential agonist design.
Cell, 186, 2023
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5LYC
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6VP1
 | | Artificial Metalloproteins with Dinuclear Iron Centers | | 分子名称: | ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | | 著者 | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | | 登録日 | 2020-02-01 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
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3J1A
 | | HK97-like fold fitted into 3D reconstruction of bacteriophage CW02 | | 分子名称: | capsid protein | | 著者 | Shen, P.S, Domek, M.J, Sanz-Garcia, E, Makaju, A, Taylor, R, Culumber, M, Breakwell, D.P, Prince, J.T, Belnap, D.M. | | 登録日 | 2012-01-31 | | 公開日 | 2012-05-30 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (16 Å) | | 主引用文献 | Sequence and Structural Characterization of Great Salt Lake Bacteriophage CW02, a Member of the T7-Like Supergroup.
J.Virol., 86, 2012
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7B3H
 | | Notum complex with ARUK3003909 | | 分子名称: | 1,2-ETHANEDIOL, 6-((3-(trifluoromethoxy)phenyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one, DIMETHYL SULFOXIDE, ... | | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | | 登録日 | 2020-11-30 | | 公開日 | 2021-12-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity.
J.Med.Chem., 65, 2022
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