8FVD
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![BU of 8fvd by Molmil](/molmil-images/mine/8fvd) | E coli. CTP synthase in complex with dF-dCTP (potassium malonate + 100 mM MgCl2) | 分子名称: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), CTP synthase, MAGNESIUM ION, ... | 著者 | Holyoak, T, McLeod, M.J, Tran, N. | 登録日 | 2023-01-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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8FV7
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![BU of 8fv7 by Molmil](/molmil-images/mine/8fv7) | E coli. CTP synthase in complex with dF-dCTP + ATP | 分子名称: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, ... | 著者 | Holyoak, T, McLeod, M.J, Tran, N. | 登録日 | 2023-01-18 | 公開日 | 2023-05-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | A metal-dependent conformational change provides a structural basis for the inhibition of CTP synthase by gemcitabine-5'-triphosphate. Protein Sci., 32, 2023
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6JYK
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![BU of 6jyk by Molmil](/molmil-images/mine/6jyk) | |
6K2J
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![BU of 6k2j by Molmil](/molmil-images/mine/6k2j) | |
7G0Z
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![BU of 7g0z by Molmil](/molmil-images/mine/7g0z) | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid | 分子名称: | 5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid, Fatty acid-binding protein, adipocyte | 著者 | Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (0.84 Å) | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex To be published
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7G1N
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![BU of 7g1n by Molmil](/molmil-images/mine/7g1n) | Crystal Structure of human FABP4 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid | 分子名称: | (1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | 著者 | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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7G0E
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![BU of 7g0e by Molmil](/molmil-images/mine/7g0e) | Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid | 分子名称: | 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Crystal Structure of a human FABP5 complex To be published
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7G00
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![BU of 7g00 by Molmil](/molmil-images/mine/7g00) | Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid | 分子名称: | 2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, liver, ... | 著者 | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of a human FABP1 complex To be published
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7G1M
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![BU of 7g1m by Molmil](/molmil-images/mine/7g1m) | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid | 分子名称: | (1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte | 著者 | Ehler, A, Benz, J, Obst, U, Neidhart, W, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex To be published
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5VI6
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![BU of 5vi6 by Molmil](/molmil-images/mine/5vi6) | Crystal structure of histone deacetylase 8 in complex with trapoxin A | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ... | 著者 | Porter, N.J, Christianson, D.W. | 登録日 | 2017-04-14 | 公開日 | 2017-09-06 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.237 Å) | 主引用文献 | Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8. ACS Chem. Biol., 12, 2017
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6QL1
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![BU of 6ql1 by Molmil](/molmil-images/mine/6ql1) | Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-01-31 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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7RHJ
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![BU of 7rhj by Molmil](/molmil-images/mine/7rhj) | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-blocked open state | 分子名称: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | 著者 | Xue, J, Han, Y, Jiang, Y. | 登録日 | 2021-07-17 | 公開日 | 2021-11-03 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.88 Å) | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel. Neuron, 110, 2022
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7RHK
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![BU of 7rhk by Molmil](/molmil-images/mine/7rhk) | Cryo-EM structure of human rod CNGA1/B1 channel in L-cis-Diltiazem-trapped closed state | 分子名称: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel beta-1, ... | 著者 | Xue, J, Han, Y, Jiang, Y. | 登録日 | 2021-07-17 | 公開日 | 2021-11-03 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Structural mechanisms of assembly, permeation, gating, and pharmacology of native human rod CNG channel. Neuron, 110, 2022
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7RT5
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![BU of 7rt5 by Molmil](/molmil-images/mine/7rt5) | Crystal structure of KRAS G12D with compound 36 (4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine) bound | 分子名称: | 4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT2
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![BU of 7rt2 by Molmil](/molmil-images/mine/7rt2) | Crystal Structure of KRAS G12D with compound 25 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | 分子名称: | 1,2-ETHANEDIOL, 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GLYCEROL, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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7RT3
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![BU of 7rt3 by Molmil](/molmil-images/mine/7rt3) | Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | 分子名称: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | 登録日 | 2021-08-12 | 公開日 | 2021-12-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor. J.Med.Chem., 65, 2022
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2ZX0
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![BU of 2zx0 by Molmil](/molmil-images/mine/2zx0) | Rhamnose-binding lectin CSL3 | 分子名称: | CSL3, GLYCEROL, PHOSPHATE ION | 著者 | Shirai, T, Watababe, Y, Lee, M, Ogawa, T, Muramoto, K. | 登録日 | 2008-12-19 | 公開日 | 2009-06-30 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of rhamnose-binding lectin CSL3: unique pseudo-tetrameric architecture of a pattern recognition protein J.Mol.Biol., 391, 2009
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2ZX2
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![BU of 2zx2 by Molmil](/molmil-images/mine/2zx2) | Rhamnose-binding lectin CSL3 | 分子名称: | CSL3, PHOSPHATE ION, alpha-L-rhamnopyranose | 著者 | Shirai, T, Watababe, Y, Lee, M, Ogawa, T, Muramoto, K. | 登録日 | 2008-12-19 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of rhamnose-binding lectin CSL3: unique pseudo-tetrameric architecture of a pattern recognition protein J.Mol.Biol., 391, 2009
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2ZX1
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![BU of 2zx1 by Molmil](/molmil-images/mine/2zx1) | Rhamnose-binding lectin CSL3 | 分子名称: | CSL3, PHOSPHATE ION | 著者 | Shirai, T, Watababe, Y, Lee, M, Ogawa, T, Muramoto, K. | 登録日 | 2008-12-19 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of rhamnose-binding lectin CSL3: unique pseudo-tetrameric architecture of a pattern recognition protein J.Mol.Biol., 391, 2009
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2ZX4
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![BU of 2zx4 by Molmil](/molmil-images/mine/2zx4) | Rhamnose-binding lectin CSL3 | 分子名称: | CSL3, PHOSPHATE ION, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, ... | 著者 | Shirai, T, Watababe, Y, Lee, M, Ogawa, T, Muramoto, K. | 登録日 | 2008-12-19 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of rhamnose-binding lectin CSL3: unique pseudo-tetrameric architecture of a pattern recognition protein J.Mol.Biol., 391, 2009
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2ZX3
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![BU of 2zx3 by Molmil](/molmil-images/mine/2zx3) | Rhamnose-binding lectin CSL3 | 分子名称: | CSL3, PHOSPHATE ION, alpha-D-galactopyranose-(1-6)-beta-D-glucopyranose | 著者 | Shirai, T, Watababe, Y, Lee, M, Ogawa, T, Muramoto, K. | 登録日 | 2008-12-19 | 公開日 | 2009-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of rhamnose-binding lectin CSL3: unique pseudo-tetrameric architecture of a pattern recognition protein J.Mol.Biol., 391, 2009
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7KHL
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![BU of 7khl by Molmil](/molmil-images/mine/7khl) | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | 著者 | Murray, J.M. | 登録日 | 2020-10-21 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | 主引用文献 | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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7KWA
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![BU of 7kwa by Molmil](/molmil-images/mine/7kwa) | Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | 分子名称: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | 著者 | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | 登録日 | 2020-11-30 | 公開日 | 2021-07-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.572 Å) | 主引用文献 | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M. J.Med.Chem., 64, 2021
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7K5M
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![BU of 7k5m by Molmil](/molmil-images/mine/7k5m) | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | 分子名称: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | 著者 | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | 登録日 | 2020-09-17 | 公開日 | 2021-07-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Identification of a new class of HBV capsid assembly modulator. Bioorg.Med.Chem.Lett., 39, 2021
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7OJ2
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![BU of 7oj2 by Molmil](/molmil-images/mine/7oj2) | Bacillus subtilis IMPDH in complex with Ap4A | 分子名称: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION | 著者 | Giammarinaro, P.I, Bange, G. | 登録日 | 2021-05-13 | 公開日 | 2022-09-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis. Nat Microbiol, 7, 2022
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