6O9T
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![BU of 6o9t by Molmil](/molmil-images/mine/6o9t) | KirBac3.1 mutant at a resolution of 4.1 Angstroms | 分子名称: | 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION | 著者 | Gulbis, J.M, Black, K.A, Miller, D.M. | 登録日 | 2019-03-15 | 公開日 | 2020-05-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (4.01 Å) | 主引用文献 | A constricted opening in Kir channels does not impede potassium conduction. Nat Commun, 11, 2020
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6O9V
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![BU of 6o9v by Molmil](/molmil-images/mine/6o9v) | KirBac3.1 mutant at a resolution of 3.1 Angstroms | 分子名称: | 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ... | 著者 | Gulbis, J.M, Black, K.A, Miller, D.M. | 登録日 | 2019-03-15 | 公開日 | 2020-05-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.094 Å) | 主引用文献 | A constricted opening in Kir channels does not impede potassium conduction. Nat Commun, 11, 2020
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7UE8
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![BU of 7ue8 by Molmil](/molmil-images/mine/7ue8) | PANK3 complex structure with compound PZ-3890 | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ... | 著者 | White, S.W, Yun, M, Lee, R.E. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia. J Inherit Metab Dis, 46, 2023
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5XO1
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5YFB
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![BU of 5yfb by Molmil](/molmil-images/mine/5yfb) | Crystal structure of a new DPP III family member | 分子名称: | 1,2-ETHANEDIOL, Dipeptidyl peptidase 3, GLYCEROL, ... | 著者 | Xu, T, Sun, Z, Liu, J. | 登録日 | 2017-09-20 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme. Biochem. Biophys. Res. Commun., 494, 2017
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5Y62
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![BU of 5y62 by Molmil](/molmil-images/mine/5y62) | YfiR complexed with GMP | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, YfiR | 著者 | Zhou, L, Xu, M, Jiang, T. | 登録日 | 2017-08-10 | 公開日 | 2017-09-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural insights into the functional role of GMP in modulating the YfiBNR system Biochem. Biophys. Res. Commun., 493, 2017
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6VFK
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6VFL
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5YHJ
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![BU of 5yhj by Molmil](/molmil-images/mine/5yhj) | Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | 分子名称: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | 登録日 | 2017-09-28 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017
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5YGV
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![BU of 5ygv by Molmil](/molmil-images/mine/5ygv) | Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist | 分子名称: | (2Z,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-4-[3-(4-methylphenyl)prop-2-ynoxy]-1-oxidanyl-cyclohex-2-en-1-yl]penta-2,4-dienoic acid, Abscisic acid receptor PYR1 | 著者 | Akiyama, T, Sue, M, Takeuchi, J, Mimura, N, Okamoto, M, Monda, K, Iba, K, Ohnishi, T, Todoroki, Y, Yajima, S. | 登録日 | 2017-09-27 | 公開日 | 2018-04-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Chemical Design of Abscisic Acid Antagonists That Block PYL-PP2C Receptor Interactions. ACS Chem. Biol., 13, 2018
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5YFC
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![BU of 5yfc by Molmil](/molmil-images/mine/5yfc) | Crystal structure of a new DPP III family member | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Dipeptidyl peptidase 3, ... | 著者 | Xu, T, Liu, J. | 登録日 | 2017-09-20 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme. Biochem. Biophys. Res. Commun., 494, 2017
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5YFD
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![BU of 5yfd by Molmil](/molmil-images/mine/5yfd) | Crystal structure of a new DPP III family member | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Dipeptidyl peptidase 3, ... | 著者 | Xu, T, Liu, J. | 登録日 | 2017-09-20 | 公開日 | 2018-01-03 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Crystal structures of Aflatoxin-oxidase from Armillariella tabescens reveal a dual activity enzyme. Biochem. Biophys. Res. Commun., 494, 2017
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5Y61
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![BU of 5y61 by Molmil](/molmil-images/mine/5y61) | YfiB-YfiR complexed with GMP | 分子名称: | GUANOSINE-5'-MONOPHOSPHATE, YfiB, YfiR | 著者 | Zhou, L, Xu, M, Jiang, T. | 登録日 | 2017-08-10 | 公開日 | 2017-09-20 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Structural insights into the functional role of GMP in modulating the YfiBNR system Biochem. Biophys. Res. Commun., 493, 2017
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5YIO
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![BU of 5yio by Molmil](/molmil-images/mine/5yio) | NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase | 分子名称: | ATP synthase epsilon chain | 著者 | Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G. | 登録日 | 2017-10-06 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | The NMR solution structure of Mycobacterium tuberculosis F-ATP synthase subunit epsilon provides new insight into energy coupling inside the rotary engine. FEBS J., 285, 2018
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5ZCP
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![BU of 5zcp by Molmil](/molmil-images/mine/5zcp) | azide-bound cytochrome c oxidase structure determined using the crystals exposed to 20 mM azide solution for 2 days | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-02-19 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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6X4O
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![BU of 6x4o by Molmil](/molmil-images/mine/6x4o) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | 分子名称: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6WNS
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6X3Y
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![BU of 6x3y by Molmil](/molmil-images/mine/6x3y) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-21 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4N
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![BU of 6x4n by Molmil](/molmil-images/mine/6x4n) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 24) | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5WG3
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![BU of 5wg3 by Molmil](/molmil-images/mine/5wg3) | Human GRK2 in complex with Gbetagamma subunits and CCG258748 | 分子名称: | 2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Bouley, R, Tesmer, J.J.G. | 登録日 | 2017-07-13 | 公開日 | 2017-12-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.896 Å) | 主引用文献 | Structural Determinants Influencing the Potency and Selectivity of Indazole-Paroxetine Hybrid G Protein-Coupled Receptor Kinase 2 Inhibitors. Mol. Pharmacol., 92, 2017
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6X3R
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![BU of 6x3r by Molmil](/molmil-images/mine/6x3r) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | 分子名称: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-21 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4P
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![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | 分子名称: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | 登録日 | 2020-05-22 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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5ZCQ
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![BU of 5zcq by Molmil](/molmil-images/mine/5zcq) | Azide-bound cytochrome c oxidase structure determined using the crystals exposed to 10 mM azide solution for 2 days | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | 著者 | Shimada, A, Hatano, K, Tadehara, H, Tsukihara, T. | 登録日 | 2018-02-19 | 公開日 | 2018-08-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity. J. Biol. Chem., 293, 2018
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5YZ7
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![BU of 5yz7 by Molmil](/molmil-images/mine/5yz7) | Crystal structure of OsD14 in complex with D-ring-opened 7'-carba-4BD | 分子名称: | (2Z,4S)-5-(4-bromophenyl)-4-hydroxy-2-methylpent-2-enoic acid, Strigolactone esterase D14 | 著者 | Hirabayashi, K, Jiang, K, Xu, Y, Miyakawa, T, Asami, T, Tanokura, M. | 登録日 | 2017-12-13 | 公開日 | 2018-05-30 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Rationally Designed Strigolactone Analogs as Antagonists of the D14 Receptor. Plant Cell Physiol., 59, 2018
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6X5Q
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