5WI1
 
 | |
2FZJ
 | | New Insights into DHFR Interactions: Analysis of Pneumocystis carinii and Mouse DHFR Complexes with NADPH and Two Highly Potent Trimethoprim Derivatives | | 分子名称: | 2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PENTYNYL)]BENZYL PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Pace, J, Chisum, K, Rosowsky, A. | | 登録日 | 2006-02-09 | | 公開日 | 2006-12-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | New insights into DHFR interactions: analysis of Pneumocystis carinii and mouse DHFR complexes with NADPH and two highly potent 5-(omega-carboxy(alkyloxy) trimethoprim derivatives reveals conformational correlations with activity and novel parallel ring stacking interactions.
Proteins, 65, 2006
|
|
6I0B
 | | Human butyrylcholinesterase in complex with the S enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | 分子名称: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Nachon, F. | | 登録日 | 2018-10-25 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | | 主引用文献 | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
|
|
3IFD
 | |
7VDV
 | | The overall structure of human chromatin remodeling PBAF-nucleosome complex | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2,AT-rich interactive domain-containing protein 2, Actin, ... | | 著者 | Chen, Z.C, Chen, K.J, Yuan, J.J. | | 登録日 | 2021-09-07 | | 公開日 | 2022-05-18 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structure of human chromatin-remodelling PBAF complex bound to a nucleosome.
Nature, 605, 2022
|
|
3K45
 | | Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | | 分子名称: | 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V. | | 登録日 | 2009-10-05 | | 公開日 | 2009-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
|
|
3NTZ
 | | Design, Synthesis, Biological Evaluation and X-ray Crystal Structures of Novel Classical 6,5,6-tricyclicbenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | | 分子名称: | Dihydrofolate reductase, N-[(4-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2010-07-06 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
|
|
6B75
 | | Crystal Structure of human NAMPT in complex with NVP-LOQ594 | | 分子名称: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase | | 著者 | Weihofen, W.A, Thigale, S. | | 登録日 | 2017-10-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
|
|
8IVU
 | | Crystal Structure of Human NAMPT in complex with A4276 | | 分子名称: | N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Kang, B.G, Cha, S.S. | | 登録日 | 2023-03-28 | | 公開日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.09000921 Å) | | 主引用文献 | Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy.
Theranostics, 13, 2023
|
|
3NU0
 | | Design, Synthesis, Biological Evaluation and X-ray Crystal Structure of Novel Classical 6,5,6-TricyclicBenzo[4,5]thieno[2,3-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors | | 分子名称: | (2S)-2-(5-{[(2-amino-4-oxo-3,4-dihydro[1]benzothieno[2,3-d]pyrimidin-5-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid, Dihydrofolate reducatase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2010-07-06 | | 公開日 | 2011-05-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 19, 2011
|
|
6B76
 | | Crystal Structure of human NAMPT in complex with NVP-LVR596 | | 分子名称: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Weihofen, W.A, Thigale, S. | | 登録日 | 2017-10-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
|
|
8RTT
 | | Structure of the formin Cdc12 bound to the barbed end of phalloidin-stabilized F-actin. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | | 登録日 | 2024-01-29 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.56 Å) | | 主引用文献 | Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
|
|
7XA3
 | | Cryo-EM structure of the CCL2 bound CCR2-Gi complex | | 分子名称: | C-C motif chemokine 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Shao, Z, Tan, Y, Shen, Q, Yao, B, Hou, L, Qin, J, Xu, P, Mao, C, Chen, L, Zhang, H, Shen, D, Zhang, C, Li, W, Du, X, Li, F, Chen, Z, Jiang, Y, Xu, H.E, Ying, S, Ma, H, Zhang, Y, Shen, H. | | 登録日 | 2022-03-17 | | 公開日 | 2022-08-24 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Molecular insights into ligand recognition and activation of chemokine receptors CCR2 and CCR3.
Cell Discov, 8, 2022
|
|
3K47
 | | Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase | | 分子名称: | 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Pace, J, Queener, S.F, Gangjee, A. | | 登録日 | 2009-10-05 | | 公開日 | 2009-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
|
|
3L3R
 | | Structural, Computational and Kinetic Data for Antifolate Interactions Against Pneumocystis jirovecii, Pneumocystis carinii and Human Dihydrofolate Reductase and Their Active Site Mutants | | 分子名称: | 6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2009-12-17 | | 公開日 | 2011-01-05 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinetic and Structural Analysis for Potent Antifolate Inhibition of Pneumocystis jirovecii, Pneumocystis carinii, and Human Dihydrofolate Reductases and Their Active-Site Variants.
Antimicrob.Agents Chemother., 57, 2013
|
|
7P1H
 | | Structure of the V. vulnificus ExoY-G-actin-profilin complex | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ... | | 著者 | Belyy, A, Merino, F, Raunser, S. | | 登録日 | 2021-07-01 | | 公開日 | 2021-11-17 | | 最終更新日 | 2021-12-01 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Mechanism of actin-dependent activation of nucleotidyl cyclase toxins from bacterial human pathogens.
Nat Commun, 12, 2021
|
|
6AZJ
 | | Crystal Structure of human NAMPT in complex with NVP-LQN520 | | 分子名称: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase | | 著者 | Weihofen, W.A, Thigale, S. | | 登録日 | 2017-09-11 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors
To Be Published
|
|
7V99
 | | catalytic core of human telomerase holoenzyme | | 分子名称: | Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ... | | 著者 | Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M. | | 登録日 | 2021-08-24 | | 公開日 | 2022-03-30 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
|
|
6ANU
 | | Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain | | 分子名称: | Actin, cytoplasmic 1, Spectrin beta chain, ... | | 著者 | Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H. | | 登録日 | 2017-08-14 | | 公開日 | 2017-11-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (7 Å) | | 主引用文献 | Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
|
|
6I0C
 | | Human butyrylcholinesterase in complex with the R enantiomer of a chlorotacrine-tryptophan multi-target inhibitor. | | 分子名称: | (2~{R})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Nachon, F. | | 登録日 | 2018-10-25 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.675 Å) | | 主引用文献 | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease.
Eur.J.Med.Chem., 168, 2019
|
|
7Y8R
 | | The nucleosome-bound human PBAF complex | | 分子名称: | ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, AT-rich interactive domain-containing protein 2, ... | | 著者 | Wang, L, Yu, J, Yu, Z, Wang, Q, He, S, Xu, Y. | | 登録日 | 2022-06-24 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structure of nucleosome-bound human PBAF complex.
Nat Commun, 13, 2022
|
|
3D84
 | |
3F8Z
 | | Human Dihydrofolate Reductase Structural Data with Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2008-11-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
|
|
8F7L
 | | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S | | 分子名称: | (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-[(2P)-2-(3-fluoro-4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]piperidine-3-carboxamide, CHLORIDE ION, NICOTINAMIDE, ... | | 著者 | Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R. | | 登録日 | 2022-11-18 | | 公開日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S
To Be Published
|
|
3F91
 | | Structural Data for Human Active Site Mutant Enzyme Complexes | | 分子名称: | 2,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V, Pace, J, Makin, J, Piraino, J, Queener, S.F, Rosowsky, A. | | 登録日 | 2008-11-13 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with Structural Data for Human Active Site Mutant Enzyme Complexes.
Biochemistry, 48, 2009
|
|
