8FJZ
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![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-20 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.897 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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6Z6E
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![BU of 6z6e by Molmil](/molmil-images/mine/6z6e) | Crystal structure of the HK97 bacteriophage small terminase | 分子名称: | IODIDE ION, Terminase small subunit | 著者 | Fung, H.K.H, Chechik, M, Baumann, C.G, Antson, A.A. | 登録日 | 2020-05-28 | 公開日 | 2021-06-09 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural basis of DNA packaging by a ring-type ATPase from an archetypal viral system. Nucleic Acids Res., 50, 2022
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6Z6D
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![BU of 6z6d by Molmil](/molmil-images/mine/6z6d) | Crystal structure of the HK97 bacteriophage large terminase | 分子名称: | BROMIDE ION, Terminase large subunit | 著者 | Fung, H.K.H, Chechik, M, Baumann, C.G, Antson, A.A. | 登録日 | 2020-05-28 | 公開日 | 2021-06-09 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of DNA packaging by a ring-type ATPase from an archetypal viral system. Nucleic Acids Res., 50, 2022
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8FH4
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![BU of 8fh4 by Molmil](/molmil-images/mine/8fh4) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undec-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile | 分子名称: | (3P)-3-[6-chloro-4-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-13 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.827 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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8FKO
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![BU of 8fko by Molmil](/molmil-images/mine/8fko) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(2S,5R)-5-Amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | 分子名称: | (3P)-3-{4-[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | 著者 | McTigue, M, Johnson, E, Cronin, C. | 登録日 | 2022-12-21 | 公開日 | 2023-04-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
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6Z2S
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![BU of 6z2s by Molmil](/molmil-images/mine/6z2s) | Crystal structure of adhibin analogue-bound myosin-2 | 分子名称: | 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ... | 著者 | Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M. | 登録日 | 2020-05-18 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells To Be Published
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4N8E
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![BU of 4n8e by Molmil](/molmil-images/mine/4n8e) | DPP4 complexed with compound 12a | 分子名称: | 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | 著者 | Ostermann, N, Zink, F, Kroemer, M. | 登録日 | 2013-10-17 | 公開日 | 2014-02-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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6ZCD
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![BU of 6zcd by Molmil](/molmil-images/mine/6zcd) | VEGF-A 13:107 crystallized with 1C bicyclic peptide | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Derived from V114 peptide, PHOSPHATE ION, ... | 著者 | Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. | 登録日 | 2020-06-10 | 公開日 | 2021-06-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
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6ZBR
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![BU of 6zbr by Molmil](/molmil-images/mine/6zbr) | VEGF-A 13:107 crystallized with 4C bicyclic peptide | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chains: P, PHOSPHATE ION, ... | 著者 | Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. | 登録日 | 2020-06-09 | 公開日 | 2021-06-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
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6ZFL
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![BU of 6zfl by Molmil](/molmil-images/mine/6zfl) | High resolution structure of VEGF-A 12:107 crystallized in tetragonal form | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Vascular endothelial growth factor A | 著者 | Gaucher, J.-F, Broussy, S, Reille-Seroussi, M. | 登録日 | 2020-06-17 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and ITC Characterization of Peptide-Protein Binding: Thermodynamic Consequences of Cyclization Constraints, a Case Study on Vascular Endothelial Growth Factor Ligands. Chemistry, 2022
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6ZEC
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![BU of 6zec by Molmil](/molmil-images/mine/6zec) | Crystal Structure of the Fab Fragment of a Glycosylated Lymphoma Antibody | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment heavy chain, Fab fragment light chain, ... | 著者 | Allen, J.D, Watanabe, Y, Crispin, M, Bowden, T.A. | 登録日 | 2020-06-16 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Insertion of atypical glycans into the tumor antigen-binding site identifies DLBCLs with distinct origin and behavior. Blood, 138, 2021
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6YVK
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![BU of 6yvk by Molmil](/molmil-images/mine/6yvk) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 0.71 MGy exposure | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | 登録日 | 2020-04-28 | 公開日 | 2021-11-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVL
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![BU of 6yvl by Molmil](/molmil-images/mine/6yvl) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | 登録日 | 2020-04-28 | 公開日 | 2021-11-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVM
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![BU of 6yvm by Molmil](/molmil-images/mine/6yvm) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | 登録日 | 2020-04-28 | 公開日 | 2021-11-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVN
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![BU of 6yvn by Molmil](/molmil-images/mine/6yvn) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure | 分子名称: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | 著者 | Tittmann, K, Rindfleisch, S, Krull, M. | 登録日 | 2020-04-28 | 公開日 | 2021-11-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZJL
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![BU of 6zjl by Molmil](/molmil-images/mine/6zjl) | Respiratory complex I from Thermus thermophilus, NAD+ dataset, major state | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | 著者 | Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A. | 登録日 | 2020-06-29 | 公開日 | 2020-09-02 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Key role of quinone in the mechanism of respiratory complex I. Nat Commun, 11, 2020
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6Z18
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![BU of 6z18 by Molmil](/molmil-images/mine/6z18) | Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; R32 form | 分子名称: | RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG | 著者 | Ruszkowski, M, Sekula, B, Mao, S, Haruehanroengra, P, Sheng, J. | 登録日 | 2020-05-12 | 公開日 | 2020-09-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA. Nucleic Acids Res., 48, 2020
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6Z44
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![BU of 6z44 by Molmil](/molmil-images/mine/6z44) | Crystal structure of the cAMP-dependent protein kinase A in complex with phenol | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, DIMETHYL SULFOXIDE, PHENOL, ... | 著者 | Oebbeke, M, Heine, A, Klebe, G. | 登録日 | 2020-05-22 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
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6Z47
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![BU of 6z47 by Molmil](/molmil-images/mine/6z47) | Smooth muscle myosin shutdown state heads region | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin heavy chain 11, ... | 著者 | Scarff, C.A, Carrington, G, Casas Mao, D, Chalovich, J.M, Knight, P.J, Ranson, N.A, Peckham, M. | 登録日 | 2020-05-22 | 公開日 | 2020-12-09 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (6.3 Å) | 主引用文献 | Structure of the shutdown state of myosin-2. Nature, 588, 2020
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3AZC
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![BU of 3azc by Molmil](/molmil-images/mine/3azc) | Crystal structure of the soluble part of cytochrome b6f complex iron-sulfur subunit from Thermosynechococcus elongatus BP-1 | 分子名称: | Cytochrome b6-f complex iron-sulfur subunit, FE2/S2 (INORGANIC) CLUSTER | 著者 | Veit, S, Takeda, K, Tsunoyama, Y, Roegner, M, Miki, K. | 登録日 | 2011-05-23 | 公開日 | 2012-05-23 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of a thermophilic cyanobacterial b(6)f-type Rieske protein Acta Crystallogr.,Sect.D, 68, 2012
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6Z7T
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![BU of 6z7t by Molmil](/molmil-images/mine/6z7t) | Nucleotide-free Myosin-II motor domain | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Ewert, W, Preller, M. | 登録日 | 2020-06-01 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke. Int J Mol Sci, 21, 2020
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6Z63
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![BU of 6z63 by Molmil](/molmil-images/mine/6z63) | FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Cell division ATP-binding protein FtsE | 著者 | Alcorlo, M, Straume, D, Havarstein, L.S, Hermoso, J.A. | 登録日 | 2020-05-27 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio, 11, 2020
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6XDR
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![BU of 6xdr by Molmil](/molmil-images/mine/6xdr) | Escherichia coli transcription-translation complex B (TTC-B) containing an 27 nt long mRNA spacer, NusG, and fMet-tRNAs at E-site and P-site | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S1, ... | 著者 | Molodtsov, V, Wang, C, Su, M, Ebright, R.H. | 登録日 | 2020-06-11 | 公開日 | 2020-09-02 | 最終更新日 | 2020-09-23 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Structural basis of transcription-translation coupling. Science, 369, 2020
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6XZ0
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![BU of 6xz0 by Molmil](/molmil-images/mine/6xz0) | |
6XHC
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![BU of 6xhc by Molmil](/molmil-images/mine/6xhc) | Structure of glycinyl 5'-O-adenosine phosphoramidate | 分子名称: | 2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]ethanoic acid, Ribonuclease pancreatic | 著者 | Pallan, P.S, Egli, M. | 登録日 | 2020-06-18 | 公開日 | 2020-12-02 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The Enzyme-Free Release of Nucleotides from Phosphoramidates Depends Strongly on the Amino Acid. Angew.Chem.Int.Ed.Engl., 59, 2020
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