6BWK
 
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6TO2
 | | Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one | | 分子名称: | (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ... | | 著者 | Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A. | | 登録日 | 2019-12-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*.
Chembiochem, 22, 2021
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6VGU
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6VHS
 | | Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317 | | 分子名称: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Sacco, M.D, Chen, Y. | | 登録日 | 2020-01-10 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.
J.Med.Chem., 63, 2020
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6VXN
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6VXM
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6CRN
 | | Structure of the USP15 deubiquitinase domain in complex with a high-affinity first-generation Ubv | | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 15, Ubiquitin variant 15.2, ZINC ION | | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | | 登録日 | 2018-03-19 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
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8QUU
 | | Crystal structure of chlorite dismutase at 3000 eV based on spherical harmonics absorption corrections | | 分子名称: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | 著者 | Duman, R, Wagner, A, Kamps, J, Orville, A. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QVV
 | | Crystal structure of Ompk36 GD at 3500 eV based on analytical absorption corrections | | 分子名称: | OmpK36, SULFATE ION | | 著者 | Duman, R, Wagner, A, Beis, K, Wong, J. | | 登録日 | 2023-10-18 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QVB
 | | Crystal structure of chlorite dismutase at 3000 eV based on a combination of spherical harmonics and analytical absorption corrections | | 分子名称: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | 著者 | Duman, R, Wagner, A, Kamps, J, Orville, A. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUQ
 | | Crystal structure of Ompk36 GD at 3500 eV based on spherical harmonics absorption corrections | | 分子名称: | OmpK36, SULFATE ION | | 著者 | Duman, R, Wagner, A, Beis, K, Wong, J. | | 登録日 | 2023-10-16 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUR
 | | Crystal structure of Ompk36 GD at 3500 eV with no absorption corrections | | 分子名称: | OmpK36, SULFATE ION | | 著者 | Duman, R, Wagner, A, Beis, K, Wong, J. | | 登録日 | 2023-10-16 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUV
 | | Crystal structure of chlorite dismutase at 3000 eV with no absorption corrections | | 分子名称: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | 著者 | Duman, R, Wagner, A, Kamps, J, Orville, A. | | 登録日 | 2023-10-17 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QUZ
 | | Crystal structure of chlorite dismutase at 3000 eV based on analytical absorption corrections | | 分子名称: | CHLORIDE ION, Chlorite Dismutase, GLYCEROL, ... | | 著者 | Duman, R, Wagner, A, Kamps, J, Orville, A. | | 登録日 | 2023-10-17 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8QVS
 | | Crystal structure of Ompk36 GD at 3500 eV based on a combination of spherical harmonics and analytical absorption corrections | | 分子名称: | OmpK36, SULFATE ION | | 著者 | Duman, R, Wagner, A, Beis, K, Wong, J. | | 登録日 | 2023-10-18 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Ray-tracing analytical absorption correction for X-ray crystallography based on tomographic reconstructions.
J.Appl.Crystallogr., 57, 2024
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8SJ5
 | | Walnut Tree Phytocystatin | | 分子名称: | Cysteine proteinase inhibitor | | 著者 | Valadares, N.F. | | 登録日 | 2023-04-17 | | 公開日 | 2023-12-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal structure and interconversion of monomers and domain-swapped dimers of the walnut tree phytocystatin.
Biochim Biophys Acta Proteins Proteom, 1872, 2023
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2XAB
 | | Structure of HSP90 with an inhibitor bound | | 分子名称: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-03-30 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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8RW3
 | | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | | 著者 | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | | 登録日 | 2024-02-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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1LPF
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8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | 分子名称: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2024-02-01 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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2XJJ
 | | Structure of HSP90 with small molecule inhibitor bound | | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | | 登録日 | 2010-07-06 | | 公開日 | 2010-08-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
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8RK1
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2XX3
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8TBG
 | | Tricomplex of RMC-7977, HRAS WT, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase HRas, ... | | 著者 | Chen, A, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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8TBH
 | | Tricomplex of RMC-7977, KRAS G12R, and CypA | | 分子名称: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Bar Ziv, T, Zhang, D, Tomlinson, A.C.A, Knox, J.E, Yano, J.K. | | 登録日 | 2023-06-28 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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