7DQO
 
 | | Marsupenaeus japonicus ferritin mutant-D132R | | 分子名称: | FE (III) ION, Ferritin | | 著者 | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | 登録日 | 2020-12-24 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | | 主引用文献 | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
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7DQP
 | | Thermal treated Marsupenaeus japonicus ferritin | | 分子名称: | Ferritin | | 著者 | Tan, X, Liu, Y, Zang, J, Zhang, T, Zhao, G. | | 登録日 | 2020-12-24 | | 公開日 | 2021-12-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.203 Å) | | 主引用文献 | Hyperthermostability of prawn ferritin nanocage facilitates its application as a robust nanovehicle for nutraceuticals.
Int.J.Biol.Macromol., 191, 2021
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7YFS
 | | The NMR structure of noursin, a tricyclic ribosomal peptide containing a histidine-to-butyrine crosslink | | 分子名称: | noursin | | 著者 | Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H. | | 登録日 | 2022-07-09 | | 公開日 | 2023-05-31 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
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3V6R
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3V6S
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6FOC
 | | F1-ATPase from Mycobacterium smegmatis | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | | 著者 | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | | 登録日 | 2018-02-06 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4ZAE
 | | Development of a novel class of potent and selective FIXa inhibitors | | 分子名称: | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ... | | 著者 | Hruza, A, Reichert, P. | | 登録日 | 2015-04-13 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5ACB
 | | Crystal Structure of the Human Cdk12-Cyclink Complex | | 分子名称: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | 著者 | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2015-08-14 | | 公開日 | 2016-06-15 | | 最終更新日 | 2016-10-05 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
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7ZTB
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6VPT
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6VBI
 | | crystal structure of PDE5 in complex with a non-competitive inhibitor | | 分子名称: | (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, cGMP-specific 3',5'-cyclic phosphodiesterase | | 著者 | Ke, H, Luo, H.B. | | 登録日 | 2019-12-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.30000758 Å) | | 主引用文献 | Identification of a novel allosteric pocket and its regulation mechanism
To Be Published
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7XDQ
 | | Crystal structure of a glucosylglycerol phosphorylase mutant from Marinobacter adhaerens | | 分子名称: | Glucosylglycerol phosphorylase, LITHIUM ION, beta-D-glucopyranose | | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7XDR
 | | Crystal structure of a glucosylglycerol phosphorylase from Marinobacter adhaerens | | 分子名称: | Glucosylglycerol phosphorylase | | 著者 | Wei, H.L, Li, Q, Yang, J.G, Liu, W.D, Sun, Y.X. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Protein Engineering of Glucosylglycerol Phosphorylase Facilitating Efficient and Highly Regio- and Stereoselective Glycosylation of Polyols in a Synthetic System.
Acs Catalysis, 2022
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7X98
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | 分子名称: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | 登録日 | 2018-06-15 | | 公開日 | 2019-04-10 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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6KDY
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6JYJ
 | | Crystal structure of FAM46B (TENT5B) | | 分子名称: | CITRATE ANION, Terminal nucleotidyltransferase 5B | | 著者 | Zhang, H, Hu, J.L, Gao, S. | | 登録日 | 2019-04-26 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.693199 Å) | | 主引用文献 | FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
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6KEA
 | | crystal structure of MBP-tagged REV7-IpaB complex | | 分子名称: | Maltose-binding periplasmic protein,LINKER,hREV7,LINKER,Invasin IpaB,hREV3 | | 著者 | Wang, X, Pernicone, N, Pertz, L, Hua, D.P, Zhang, T.Q, Listovsky, T, Xie, W. | | 登録日 | 2019-07-04 | | 公開日 | 2019-09-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | REV7 has a dynamic adaptor region to accommodate small GTPase RAN/ShigellaIpaB ligands, and its activity is regulated by the RanGTP/GDP switch.
J.Biol.Chem., 294, 2019
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5ZZ2
 | | Crystal structure of PDE5 in complex with inhibitor LW1634 | | 分子名称: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | 登録日 | 2018-05-29 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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7NXK
 | | Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 | | 分子名称: | (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide, Cyclin-K, Cyclin-dependent kinase 12 | | 著者 | Anand, K, Dust, S, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | 分子名称: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | 著者 | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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5CMZ
 | | Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ... | | 著者 | Zhu, Y, Ye, S, Zhang, R. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | | 主引用文献 | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
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5CN0
 | | Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR | | 分子名称: | DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION | | 著者 | Zhu, Y, Ye, S, Zhang, R. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
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5CMU
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6JRK
 | | The structure of co-crystals of 8r-B-EGFR WT complex | | 分子名称: | 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor | | 著者 | Zhu, S.J, Yun, C.H. | | 登録日 | 2019-04-04 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.796 Å) | | 主引用文献 | Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
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