7UP8
| |
7UP5
| Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (co-crystal) | 分子名称: | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile, IODIDE ION, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Edwards, T.E, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
7VKE
| Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A | 分子名称: | 1,2-ETHANEDIOL, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, CHLORIDE ION, ... | 著者 | Schooten, W.V, Schellenberger, U, Ugamraj, H.S, Manicka, S, Bijpuria, S, Gondu, R.K. | 登録日 | 2021-09-29 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity. Mabs, 14, 2022
|
|
5FM5
| |
6BSM
| BMP1 complexed with a reverse hydroxamate - compound 4 | 分子名称: | Bone morphogenetic protein 1, N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide, ZINC ION | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-04 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BTO
| BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid | 分子名称: | (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BTN
| BMP1 complexed with a reverse hydroxymate - compound 1 | 分子名称: | (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide, 1,2-ETHANEDIOL, Bone morphogenetic protein 1, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
7UP7
| Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak) | 分子名称: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide, Ribosomal protein S6 kinase alpha-5 | 著者 | Yano, J.K, Abendroth, J, Hall, A. | 登録日 | 2022-04-14 | 公開日 | 2022-07-20 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery and Characterization of a Novel Series of Chloropyrimidines as Covalent Inhibitors of the Kinase MSK1. Acs Med.Chem.Lett., 13, 2022
|
|
4JHZ
| Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide | 分子名称: | 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(1S,2S,5S)-2,5-dimethoxycyclohexyl]acetamide, Beta-glucuronidase | 著者 | Roberts, A.B, Wallace, B.D, Redinbo, M.R. | 登録日 | 2013-03-05 | 公開日 | 2013-08-28 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.831 Å) | 主引用文献 | Molecular Insights into Microbial beta-Glucuronidase Inhibition to Abrogate CPT-11 Toxicity. Mol.Pharmacol., 84, 2013
|
|
8F92
| HIV Env BG505_MD39_B11 SOSIP boosting trimer in complex with B11_d77.7 mouse Fab and RM20A3 Fab | 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, B11_d77.7 Fab heavy chain, ... | 著者 | Torres, J.L, Ozorowski, G, Ward, A.B. | 登録日 | 2022-11-23 | 公開日 | 2024-05-15 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3.14 Å) | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
|
|
8F9M
| |
8F9G
| HIV Env germline targeting BG505_MD64_N332-GT5 SOSIP in complex with V3-glycan polyclonal Fab isolated from immunized BG18HCgl knock-in mice | 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, BG505_MD64_N332-GT5 gp120, ... | 著者 | Ozorowski, G, Torres, J.L, Ward, A.B. | 登録日 | 2022-11-23 | 公開日 | 2024-05-15 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | mRNA-LNP HIV-1 trimer boosters elicit precursors to broad neutralizing antibodies. Science, 384, 2024
|
|
4JKL
| |
7OWF
| KlenTaq DNA polymerase in a ternary complex with primer/template and the fluorescent nucleotide analog BFdUTP | 分子名称: | DNA polymerase I, thermostable, GLYCEROL, ... | 著者 | Betz, K, Srivatsan, S.G. | 登録日 | 2021-06-18 | 公開日 | 2022-06-29 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Microenvironment-Sensitive Fluorescent Nucleotide Probes from Benzofuran, Benzothiophene, and Selenophene as Substrates for DNA Polymerases. J.Am.Chem.Soc., 144, 2022
|
|
6BTQ
| BMP1 complexed with a hydroxamate - compound 2 | 分子名称: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-07 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6BSL
| BMP1 complexed with a reverse hydroxymate - compound 22 | 分子名称: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ... | 著者 | Gampe, R, Shewchuk, L. | 登録日 | 2017-12-04 | 公開日 | 2018-08-08 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
|
|
6WAR
| |
5OR6
| Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid | 分子名称: | (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid, Abscisic acid receptor PYR1, MANGANESE (II) ION, ... | 著者 | Freigang, J. | 登録日 | 2017-08-15 | 公開日 | 2018-06-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Insights into the in Vitro and in Vivo SAR of Abscisic Acid - Exploring Unprecedented Variations of the Side Chain via Cross-Coupling-Mediated Syntheses Eur.J.Org.Chem., 2018
|
|
3EF1
| |
4H7Q
| Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase in complex with alpha-ketoisocaproic acid and ADP | 分子名称: | 2-OXO-4-METHYLPENTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-09-20 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4H85
| Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(R)-alpha-chloroisocaproate complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALPHA-CHLOROISOCAPROIC ACID, MAGNESIUM ION, ... | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | 登録日 | 2012-09-21 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
7WVL
| |
3GTD
| |
8UK9
| Structure of T4 Bacteriophage clamp loader mutant D110C bound to the T4 clamp, primer-template DNA, and ATP analog | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA primer, ... | 著者 | Marcus, K, Ghaffari-Kashani, S, Gee, C.L. | 登録日 | 2023-10-12 | 公開日 | 2023-12-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM. Nat.Struct.Mol.Biol., 31, 2024
|
|
8UH7
| Structure of T4 Bacteriophage clamp loader bound to the T4 clamp, primer-template DNA, and ATP analog | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Primer DNA strand, ... | 著者 | Gee, C.L, Marcus, K, Kelch, B.A, Makino, D.L. | 登録日 | 2023-10-07 | 公開日 | 2023-12-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.628 Å) | 主引用文献 | Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM. Nat.Struct.Mol.Biol., 31, 2024
|
|