7SO0
 
 | | Crystal Structure of the Engineered Tick Evasin EVA-P974(F31A) Complexed to Human Chemokine CCL2 | | 分子名称: | C-C motif chemokine 2, Evasin P974 | | 著者 | Bhusal, R.P, Devkota, S.R, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2021-10-28 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Structure-guided engineering of tick evasins for targeting chemokines in inflammatory diseases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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3FS6
 | | Correlations of Inhibitor Kinetics for Pneumocystis jirovecii and Human Dihydrofolate Reductase with 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 | 2009-01-09 | | 公開日 | 2009-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.23 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
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3GHW
 | | Human dihydrofolate reductase inhibitor complex | | 分子名称: | Dihydrofolate reductase, N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Cody, V. | | 登録日 | 2009-03-04 | | 公開日 | 2009-09-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents
J.Med.Chem., 52, 2009
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3GI2
 | | Human dihydrofolate reductase Q35K mutant inhibitor complex | | 分子名称: | Dihydrofolate reductase, N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V. | | 登録日 | 2009-03-05 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents.
J.Med.Chem., 52, 2009
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3EIG
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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
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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
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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
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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
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3GYF
 | | Human DHFR with Z-isomer in Orthorhombic lattice | | 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 | 2009-04-03 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Z isomer of 2,4-diaminofuro[2,3-d]pyrimidine antifolate promotes unusual crystal packing in a human dihydrofolate reductase ternary complex.
Acta Crystallogr.,Sect.F, 65, 2009
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3D84
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5KKM
 | | Con-Vc11-22 | | 分子名称: | O2_contryphan_Vc1 prepropeptide | | 著者 | Chittoor, B, Krishnarjuna, B, MacRaild, C.A, Robinson, S.D. | | 登録日 | 2016-06-22 | | 公開日 | 2017-05-31 | | 最終更新日 | 2023-06-14 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering.
Biochemistry, 56, 2017
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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
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1OHK
 | | HUMAN DIHYDROFOLATE REDUCTASE, ORTHORHOMBIC (P21 21 21) CRYSTAL FORM | | 分子名称: | DIHYDROFOLATE REDUCTASE, N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W. | | 登録日 | 1997-09-17 | | 公開日 | 1998-05-27 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Comparison of two independent crystal structures of human dihydrofolate reductase ternary complexes reduced with nicotinamide adenine dinucleotide phosphate and the very tight-binding inhibitor PT523.
Biochemistry, 36, 1997
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6LQA
 | | voltage-gated sodium channel Nav1.5 with quinidine | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Quinidine, Sodium channel protein type 5 subunit alpha | | 著者 | Yan, N, Li, Z, Pan, X, Huang, G. | | 登録日 | 2020-01-13 | | 公開日 | 2021-03-24 | | 最終更新日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural Basis for Pore Blockade of the Human Cardiac Sodium Channel Na v 1.5 by the Antiarrhythmic Drug Quinidine*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7ENQ
 | | Crystal structure of human NAMPT in complex with compound NAT | | 分子名称: | 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | 著者 | Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y. | | 登録日 | 2021-04-19 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.204966 Å) | | 主引用文献 | Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
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1PD9
 | | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine antifolate Complex with Human Dihydrofolate Reductase | | 分子名称: | 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, SULFATE ION | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | | 登録日 | 2003-05-19 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
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1PD8
 | | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase | | 分子名称: | 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | | 登録日 | 2003-05-19 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
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1PDB
 | | Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase | | 分子名称: | Dihydrofolate reductase | | 著者 | Cody, V, Luft, J.R, Pangborn, W, Gangjee, A. | | 登録日 | 2003-05-19 | | 公開日 | 2003-12-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
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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
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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
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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
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1GLQ
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8FJ0
 | | Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 | | 分子名称: | C-C motif chemokine 2, Evasin P1243 | | 著者 | Devkota, S.R, Bhusal, R.P, Aryal, P, Wilce, M.C.J, Stone, M.J. | | 登録日 | 2022-12-18 | | 公開日 | 2023-03-29 | | 最終更新日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Nat Commun, 14, 2023
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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
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