5D9L
 
 | |
5DBX
 | |
3E92
 | | Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase 14, N-cyclopropyl-2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-3-carboxamide | | 著者 | Somers, D.O, Patel, S. | | 登録日 | 2008-08-21 | | 公開日 | 2008-09-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
|
|
5DLS
 | | Identification of Novel, in vivo Active Chk1 Inhibitors Utilizing Structure Guided Drug Design | | 分子名称: | 1-benzyl-N-(5-{5-[3-(dimethylamino)-2,2-dimethylpropoxy]-1H-indol-2-yl}-6-oxo-1,6-dihydropyridin-3-yl)-1H-pyrazole-4-carboxamide, SULFATE ION, Serine/threonine-protein kinase Chk1 | | 著者 | Massey, A.J, Stokes, S, Browne, H, Foloppe, N, Fiumana, A, Scrace, S, Fallowfield, M, Bedford, S, Webb, P, Baker, L.M, Christie, M, Drysdale, M.J, Wood, M. | | 登録日 | 2015-09-07 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of novel, in vivo active Chk1 inhibitors utilizing structure guided drug design.
Oncotarget, 6, 2015
|
|
3E93
 | |
6I3T
 | | Crystal structure of murine neuroglobin bound to CO at 40 K. | | 分子名称: | ACETATE ION, CARBON MONOXIDE, FORMIC ACID, ... | | 著者 | Savino, C, Montemiglio, L.C, Ardiccioni, C, Exertier, C. | | 登録日 | 2018-11-07 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
|
|
5DMZ
 | |
6T24
 | | Cryo-EM structure of jasplakinolide-stabilized F-actin (aged) | | 分子名称: | (4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | 著者 | Pospich, S, Merino, F, Raunser, S. | | 登録日 | 2019-10-07 | | 公開日 | 2020-03-04 | | 最終更新日 | 2020-04-15 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural Effects and Functional Implications of Phalloidin and Jasplakinolide Binding to Actin Filaments.
Structure, 28, 2020
|
|
3EAC
 | |
3ECL
 | | Carbonmonoxy Sperm Whale Myoglobin at 40 K: Laser on | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-01 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6I45
 | | Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation | | 分子名称: | DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION | | 著者 | Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y. | | 登録日 | 2018-11-09 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.
Int.J.Biol.Macromol., 217, 2022
|
|
3ECW
 | |
3EDA
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [150 min] | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-03 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6T3J
 | | Dual Epitope Targeting by Anti-DR5 Antibodies | | 分子名称: | IgG1-hDR5-01-Heavy Chain, IgG1-hDR5-01-Light Chain, IgG1-hDR5-05-Heavy Chain, ... | | 著者 | Tauchert, M.J, Augustin, M, Krapp, S, Overdijk, M.B, Breij, E.C.W, Hibbert, R.G. | | 登録日 | 2019-10-11 | | 公開日 | 2020-09-16 | | 最終更新日 | 2020-10-14 | | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | | 主引用文献 | Dual Epitope Targeting and Enhanced Hexamerization by DR5 Antibodies as a Novel Approach to Induce Potent Antitumor Activity Through DR5 Agonism.
Mol.Cancer Ther., 19, 2020
|
|
3ECX
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [30 min] | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-09-02 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6I7D
 | | Plasmodium falciparum Myosin A, post-rigor and rigor-like states | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Myosin-A | | 著者 | Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A. | | 登録日 | 2018-11-16 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
|
|
8AFP
 | |
3EKT
 | | Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.) | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, PHOSPHATE ION, ... | | 著者 | Prabu-Jeyabalan, M, King, N.M, Bandaranayake, R.M. | | 登録日 | 2008-09-19 | | 公開日 | 2009-09-01 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
|
|
6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
|
|
3E55
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser off | | 分子名称: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | 登録日 | 2008-08-13 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
6TCA
 | | Phosphorylated p38 and MAPKAPK2 complex with inhibitor | | 分子名称: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | 著者 | Sok, P, Remenyi, A. | | 登録日 | 2019-11-05 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | | 主引用文献 | MAP Kinase-Mediated Activation of RSK1 and MK2 Substrate Kinases.
Structure, 28, 2020
|
|
5E5J
 | | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0 | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease | | 著者 | Kovalevsky, A.Y, Gerlits, O.O. | | 登録日 | 2015-10-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | 主引用文献 | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site.
Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6I2U
 | |
3E7O
 | | Crystal Structure of JNK2 | | 分子名称: | Mitogen-activated protein kinase 9, N-{3-[5-(1H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl}furan-2-carboxamide | | 著者 | Kuglstatter, A, Villasenor, A.G. | | 登録日 | 2008-08-18 | | 公開日 | 2008-09-09 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | The crystal structure of JNK2 reveals conformational flexibility in the MAP kinase insert and indicates its involvement in the regulation of catalytic activity.
J.Mol.Biol., 383, 2008
|
|
5E29
 | | Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide | | 分子名称: | 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ... | | 著者 | Safo, M.K, Deshpande, T.M. | | 登録日 | 2015-09-30 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry.
Biochemistry, 54, 2015
|
|
