7ZUG
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![BU of 7zug by Molmil](/molmil-images/mine/7zug) | Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain | 分子名称: | CHLORIDE ION, Heterogeneous nuclear ribonucleoprotein H, N-terminally processed, ... | 著者 | Winter, N, Kumar, M, Isupov, M.N, Wiener, R. | 登録日 | 2022-05-12 | 公開日 | 2023-05-24 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.075 Å) | 主引用文献 | Heterogeneous nuclear ribonucleoprotein H1, qRRM2 domain To Be Published
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7ZN1
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![BU of 7zn1 by Molmil](/molmil-images/mine/7zn1) | Avidin + Biotin-Tempo | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)hexanamide, ... | 著者 | Milani, J, Lau, K, Pojer, F, Ansermet, J.P, Saenz, F. | 登録日 | 2022-04-20 | 公開日 | 2023-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Avidin + Biotin-Tempo To Be Published
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7ZUO
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![BU of 7zuo by Molmil](/molmil-images/mine/7zuo) | |
6BE1
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![BU of 6be1 by Molmil](/molmil-images/mine/6be1) | Cryo-EM structure of serotonin receptor | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Basak, S, Chakrapani, S. | 登録日 | 2017-10-24 | 公開日 | 2018-02-07 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.31 Å) | 主引用文献 | Cryo-EM structure of 5-HT Nat Commun, 9, 2018
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6Y2I
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![BU of 6y2i by Molmil](/molmil-images/mine/6y2i) | |
6Y5M
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![BU of 6y5m by Molmil](/molmil-images/mine/6y5m) | Crystal structure of mouse Autotaxin in complex with compound 1a | 分子名称: | (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Faller, M, Zink, F. | 登録日 | 2020-02-25 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Development of autotaxin inhibitors: A series of tetrazole cinnamides. Bioorg.Med.Chem.Lett., 31, 2021
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7ZI1
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![BU of 7zi1 by Molmil](/molmil-images/mine/7zi1) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi1 inhibitor | 分子名称: | Deoxycytidine kinase, N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI3
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![BU of 7zi3 by Molmil](/molmil-images/mine/7zi3) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0642 inhibitor | 分子名称: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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4XLF
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![BU of 4xlf by Molmil](/molmil-images/mine/4xlf) | Tailspike protein double mutant D339N/E372A of E. coli bacteriophage HK620 in complex with pentasaccharide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | 著者 | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | 登録日 | 2015-01-13 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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7ZI6
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![BU of 7zi6 by Molmil](/molmil-images/mine/7zi6) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor | 分子名称: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI5
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![BU of 7zi5 by Molmil](/molmil-images/mine/7zi5) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor | 分子名称: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI7
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![BU of 7zi7 by Molmil](/molmil-images/mine/7zi7) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0345 inhibitor | 分子名称: | 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZIA
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![BU of 7zia by Molmil](/molmil-images/mine/7zia) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor | 分子名称: | 2-[2-[[2-methyl-5-[6-(4-methylpiperazin-1-yl)sulfonylpyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI9
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![BU of 7zi9 by Molmil](/molmil-images/mine/7zi9) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor | 分子名称: | 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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7ZI2
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![BU of 7zi2 by Molmil](/molmil-images/mine/7zi2) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the dCKi2 inhibitor | 分子名称: | Deoxycytidine kinase, N-[3-[[4-[4,6-bis(azanyl)pyrimidin-2-yl]-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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8A1N
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![BU of 8a1n by Molmil](/molmil-images/mine/8a1n) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with fumaryl amide analogue 13 | 分子名称: | (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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7ZIB
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![BU of 7zib by Molmil](/molmil-images/mine/7zib) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0635 inhibitor | 分子名称: | 2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Ben-Yaala, K, Saez-Ayala, M, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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8A1M
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![BU of 8a1m by Molmil](/molmil-images/mine/8a1m) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | 分子名称: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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7ZI8
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![BU of 7zi8 by Molmil](/molmil-images/mine/7zi8) | Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor | 分子名称: | 2-[2-[[2-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethyl]pyridin-3-yl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine, Deoxycytidine kinase, SODIUM ION, ... | 著者 | Saez-Ayala, M, Ben-Yaala, K, Betzi, S, Rebuffet, E, Morelli, X. | 登録日 | 2022-04-07 | 公開日 | 2023-06-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun, 14, 2023
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6OZ3
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![BU of 6oz3 by Molmil](/molmil-images/mine/6oz3) | |
8A1K
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![BU of 8a1k by Molmil](/molmil-images/mine/8a1k) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with ebsulfur analogue 15 | 分子名称: | 1,2-ETHANEDIOL, 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide, DIMETHYL SULFOXIDE, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6YQQ
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![BU of 6yqq by Molmil](/molmil-images/mine/6yqq) | ForT-PRPP complex | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, CHLORIDE ION, ForT-PRPP complex, ... | 著者 | Naismith, J.H, Gao, S. | 登録日 | 2020-04-18 | 公開日 | 2020-05-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Uncovering the chemistry of C-C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chem.Commun.(Camb.), 56, 2020
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8A1O
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![BU of 8a1o by Molmil](/molmil-images/mine/8a1o) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | 分子名称: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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7ZY3
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![BU of 7zy3 by Molmil](/molmil-images/mine/7zy3) | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | 分子名称: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | 著者 | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | 登録日 | 2022-05-23 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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8A1L
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![BU of 8a1l by Molmil](/molmil-images/mine/8a1l) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with alpha-chloro ketone 2 | 分子名称: | (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2022-06-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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