7QY4
 
 | | As isolated MSOX movie series dataset 5 (2 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2022-01-27 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q6O
 | | Structure of WrbA from Yersinia pseudotuberculosis in C2221 | | 分子名称: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | | 著者 | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | | 登録日 | 2021-11-08 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
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6W8Y
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | 分子名称: | 2-oxo-2,3-dihydropyrimidine-4-carboxylic acid, Nonstructural polyprotein | | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | | 登録日 | 2020-03-21 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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7Q6N
 | | Structure of WrbA from Salmonella Typhimurium bound to ME0052 | | 分子名称: | 2-azanyl-4,6-bis(bromanyl)phenol, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone), ... | | 著者 | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | | 登録日 | 2021-11-08 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
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7QBA
 | | CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | | 著者 | Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O. | | 登録日 | 2021-11-18 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | | 主引用文献 | Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
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6W91
 | | Co-crystal structures of CHIKV nsP3 macrodomain with pyrimidone fragments | | 分子名称: | Nonstructural polyprotein, methyl 2-oxo-2,5-dihydropyrimidine-4-carboxylate | | 著者 | Zhang, S, Garzan, A, Pathak, A.K, Augelli-Szafran, C.E, Wu, M. | | 登録日 | 2020-03-21 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design.
Plos One, 16, 2021
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5NHH
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 5-(2-methoxyethyl)-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5H6L
 | | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | | 分子名称: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | | 著者 | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | | 登録日 | 2016-11-14 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
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7Q6M
 | | Structure of WrbA from Yersinia pseudotuberculosis in P1 | | 分子名称: | CHLORIDE ION, NAD(P)H dehydrogenase (quinone) | | 著者 | Gabrielsen, M, Beckham, K.S.H, Roe, A.J. | | 登録日 | 2021-11-08 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Microbiology (Reading, Engl.), 168, 2022
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7QXK
 | | As isolated MSOX movie series dataset 1 (0.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2022-01-26 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5NHO
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | (6~{S})-5-(2-methoxyethyl)-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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7QYC
 | | As isolated MSOX movie series dataset 20 (8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | 登録日 | 2022-01-27 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5NHV
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 7-[2-(oxan-4-ylamino)pyrimidin-4-yl]-3,4-dihydro-2~{H}-pyrrolo[1,2-a]pyrazin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NGU
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-20 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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6FMR
 | | IMISX-EP of Se-PepTSt | | 分子名称: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION | | 著者 | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | 登録日 | 2018-02-02 | | 公開日 | 2018-08-29 | | 最終更新日 | 2018-10-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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6FMW
 | | IMISX-EP of Hg-BacA cocrystallization | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ... | | 著者 | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | | 登録日 | 2018-02-02 | | 公開日 | 2018-09-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
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3LYO
 | | CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 95% ACETONITRILE-WATER | | 分子名称: | ACETONITRILE, LYSOZYME | | 著者 | Huang, Q, Wang, Z, Zhu, G, Qian, M, Shao, M, Jia, Y, Tang, Y. | | 登録日 | 1998-03-11 | | 公開日 | 1998-05-27 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture.
Biochim.Biophys.Acta, 1384, 1998
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5CTU
 | | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... | | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | | 登録日 | 2015-07-24 | | 公開日 | 2016-02-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
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6AWS
 | | Structure of PR 10 Allergen Ara h 8.01 in complex with quercetin | | 分子名称: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Ara h 8 allergen, CHLORIDE ION, ... | | 著者 | Offermann, L.R, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Perdue, M, Chruszcz, M. | | 登録日 | 2017-09-06 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
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6HFM
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5UPS
 | | Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP663 ligand | | 分子名称: | 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, FORMIC ACID, ... | | 著者 | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.-Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | 登録日 | 2017-02-03 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
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2RNZ
 | | Solution structure of the presumed chromodomain of the yeast histone acetyltransferase, Esa1 | | 分子名称: | Histone acetyltransferase ESA1 | | 著者 | Shimojo, H, Sano, N, Moriwaki, Y, Okuda, M, Horikoshi, M, Nishimura, Y. | | 登録日 | 2008-03-01 | | 公開日 | 2008-04-29 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Novel structural and functional mode of a knot essential for RNA binding activity of the Esa1 presumed chromodomain
J.Mol.Biol., 378, 2008
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1HC7
 | | Prolyl-tRNA synthetase from Thermus thermophilus | | 分子名称: | PROLYL-TRNA SYNTHETASE, ZINC ION | | 著者 | Yaremchuk, A, Tukalo, M, Cusack, S. | | 登録日 | 2001-04-26 | | 公開日 | 2001-06-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | A Succession of Substrate Induced Conformational Changes Ensures the Amino Acid Specificity of Thermus Thermophilus Prolyl-tRNA Synthetase: Comparison with Histidyl-tRNA Synthetase
J.Mol.Biol., 309, 2001
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7U2E
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-55688 heavy chain, ADI-55688 light chain, ... | | 著者 | Yuan, M, Zhu, X, Wilson, I.A. | | 登録日 | 2022-02-23 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | A broad and potent neutralization epitope in SARS-related coronaviruses.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5H6M
 | | DNA targeting ADP-ribosyltransferase Pierisin-1 | | 分子名称: | 1,2-ETHANEDIOL, Pierisin-1 | | 著者 | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | | 登録日 | 2016-11-14 | | 公開日 | 2017-08-09 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
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