7ZRH
 
 | | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | | 分子名称: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRK
 | | Cryo-EM map of the WT KdpFABC complex in the E1-P_ADP conformation, under turnover conditions | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRJ
 | | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | | 分子名称: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRG
 | | Cryo-EM map of the WT KdpFABC complex in the E1_ATPearly conformation, under turnover conditions | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CARDIOLIPIN, POTASSIUM ION, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Rheinberger, J, Wunnicke, D, Dubach, V.R.A, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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7ZRI
 | | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | | 分子名称: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | | 著者 | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | | 登録日 | 2022-05-04 | | 公開日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Inhibited KdpFABC transitions into an E1 off-cycle state.
Elife, 11, 2022
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | 分子名称: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | 著者 | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | 登録日 | 2004-08-13 | | 公開日 | 2005-08-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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6GRO
 | | Human CSNK1G3 bound to SB-223133 | | 分子名称: | 1,2-ETHANEDIOL, 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol, CHLORIDE ION, ... | | 著者 | Szklarz, M, Vollmar, M, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | 登録日 | 2018-06-12 | | 公開日 | 2018-06-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | CSNK1G3 bound to SB-223133
To Be Published
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6H5G
 | | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3 | | 分子名称: | (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase | | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | 登録日 | 2018-07-24 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
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8AN1
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4IBE
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35 | | 著者 | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-12-08 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4IBF
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35 | | 著者 | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2012-12-08 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.291 Å) | | 主引用文献 | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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3UCB
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Darunavir | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | 著者 | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | 登録日 | 2011-10-26 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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3UFN
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 in Complex with Saquinavir | | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, HIV-1 protease | | 著者 | Agniswamy, J, Chen-Hsiang, S, Aniana, A, Sayer, J.M, Louis, J.M, Weber, I.T. | | 登録日 | 2011-11-01 | | 公開日 | 2012-03-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | HIV-1 protease with 20 mutations exhibits extreme resistance to clinical inhibitors through coordinated structural rearrangements.
Biochemistry, 51, 2012
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4IBK
 | | Ebola virus VP35 bound to small molecule | | 分子名称: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | 登録日 | 2012-12-08 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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6HDP
 | | Human DYRK2 bound to Scorzodihydrostilbene A | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, Scorzodihydrostilbene A | | 著者 | Elkins, J.M, Soundararajan, M, Proksch, P, Meijer, L, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S. | | 登録日 | 2018-08-18 | | 公開日 | 2019-08-28 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | DYRK2 bound to Scorzodihydrostilbene A
To Be Published
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6HUM
 | | Structure of the photosynthetic complex I from Thermosynechococcus elongatus | | 分子名称: | 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ... | | 著者 | Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M. | | 登録日 | 2018-10-09 | | 公開日 | 2019-01-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
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6HVD
 | | Human SLK bound to a maleimide inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ... | | 著者 | Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2018-10-10 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Human SLK bound to a maleimide inhibitor
To Be Published
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6HG9
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6I2Y
 | | Human STK10 bound to Foretinib | | 分子名称: | N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, Serine/threonine-protein kinase 10 | | 著者 | Sorrell, F.J, Berger, B.-T, Oerum, S, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | | 登録日 | 2018-11-02 | | 公開日 | 2018-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Human STK10 bound to GW683134
To Be Published
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8AF2
 | | Human Sterol Carrier Protein with unnatural amino acid 2,2'-bipyridine alanine incorporated at position 111 | | 分子名称: | COPPER (II) ION, Enoyl-CoA hydratase 2, FRAGMENT OF TRITON X-100, ... | | 著者 | Richardson, J.M, Klemencic, E, Jarvis, A.G. | | 登録日 | 2022-07-15 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Using BpyAla to generate copper artificial metalloenzymes: a catalytic and structural study.
Catalysis Science And Technology, 14, 2024
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6I2H
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8A6T
 | | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the reduced state | | 分子名称: | 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, ... | | 著者 | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | 登録日 | 2022-06-19 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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8A5E
 | | Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Acetobacterium woodii in the reduced state | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Kumar, A, Saura, P, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M. | | 登録日 | 2022-06-14 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-03-29 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
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6I85
 | | Influenza A nucleoprotein docked into the 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 5. | | 分子名称: | Influenza A nucleoprotein, Nucleoprotein | | 著者 | Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Carlero, D, Ortin, J, Martin-Benito, J. | | 登録日 | 2018-11-19 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (24 Å) | | 主引用文献 | Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
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7ZAN
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