5UO4
 
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
|
|
8QXK
 | | Cryo-EM structure of tetrameric human SAMHD1 State I - Tense | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
8QXO
 | | Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
3MDF
 | | Crystal structure of the RRM domain of Cyclophilin 33 | | 分子名称: | Peptidyl-prolyl cis-trans isomerase E | | 著者 | Hom, R.A, Chang, P.Y, Roy, S, Mussleman, C.A, Glass, K.C, Seleznevia, A.I, Gozani, O, Ismagilov, R.F, Cleary, M.L, Kutateladze, T.G. | | 登録日 | 2010-03-30 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Molecular mechanism of MLL PHD3 and RNA recognition by the Cyp33 RRM domain.
J.Mol.Biol., 400, 2010
|
|
8QXN
 | | Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
8QXL
 | | Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.82 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
8QXM
 | | Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
5VJ7
 | | Ferredoxin NADP Oxidoreductase (Xfn) | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP(+) reductase subunit alpha, ... | | 著者 | Zadvornyy, O.A, Nguyen, D.M.N, Schut, G.J, Lipscomb, G.L, Tokmina-Lukaszewska, M, Adams, M.W.W, Peters, J.W. | | 登録日 | 2017-04-18 | | 公開日 | 2017-07-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Two functionally distinct NADP(+)-dependent ferredoxin oxidoreductases maintain the primary redox balance of Pyrococcus furiosus.
J. Biol. Chem., 292, 2017
|
|
1K6T
 | |
8QXJ
 | | Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | 著者 | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | 登録日 | 2023-10-24 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
|
|
8SBS
 | |
6ACB
 | | Crystal structure of PDE5 in complex with inhibitor LW1805 | | 分子名称: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-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 | 2018-07-26 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 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
|
|
6AQJ
 | | Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase (NADP(+)), ... | | 著者 | Patel, K.M, Teran, D, Zheng, S, Gracia, M, Lv, Y, Schembri, M.A, McGeary, R.P, Schenk, G, Guddat, L.W. | | 登録日 | 2017-08-20 | | 公開日 | 2017-10-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.373 Å) | | 主引用文献 | Crystal Structures of Staphylococcus aureus Ketol-Acid Reductoisomerase in Complex with Two Transition State Analogues that Have Biocidal Activity.
Chemistry, 23, 2017
|
|
8QTG
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 9) | | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)-1~{H}-pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
|
|
8QTH
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 8) | | 分子名称: | 1-methyl-5-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-(trifluoromethyl)-7H-pyrrolo[2,3-b]pyridin-6-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
|
|
5W2P
 | | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | | 著者 | Capodagli, G.C, Neiditch, M.B. | | 登録日 | 2017-06-06 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
|
|
8QTJ
 | | Crystal structure of Cbl-b in complex with an allosteric inhibitor (compound 30) | | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1~{R})-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
|
|
5HEU
 | |
5Z4O
 | |
8QTK
 | | Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31) | | 分子名称: | 3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-10-12 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.873 Å) | | 主引用文献 | Discovery, Optimization, and Biological Evaluation of Arylpyridones as Cbl-b Inhibitors.
J.Med.Chem., 67, 2024
|
|
1O96
 | | Structure of electron transferring flavoprotein for Methylophilus methylotrophus. | | 分子名称: | ADENOSINE MONOPHOSPHATE, ELECTRON TRANSFERRING FLAVOPROTEIN ALPHA-SUBUNIT, ELECTRON TRANSFERRING FLAVOPROTEIN BETA-SUBUNIT, ... | | 著者 | Leys, D, Basran, J, Talfournier, F, Sutcliffe, M.J, Scrutton, N.S. | | 登録日 | 2002-12-11 | | 公開日 | 2003-02-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Extensive Conformational Sampling in a Ternary Electron Transfer Complex.
Nat.Struct.Biol., 10, 2003
|
|
5HEH
 | |
5UO1
 | | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | 分子名称: | 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2017-01-31 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
|
|
7R5Q
 | |
5UXN
 | | Type II DAH7PS from Pseudomonas aeruginosa with Tyr bound | | 分子名称: | CHLORIDE ION, COBALT (II) ION, PHOSPHATE ION, ... | | 著者 | Sterritt, O.W, Jameson, G.B, Parker, E.J. | | 登録日 | 2017-02-23 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
|
|
