6Q85
 
 | | Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 Angstrom resolution | | 分子名称: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, AMINO GROUP, CALCIUM ION, ... | | 著者 | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | 登録日 | 2018-12-14 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
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5U3X
 | | Human PPARdelta ligand-binding domain in complexed with specific agonist 8 | | 分子名称: | 6-[2-({cyclopropyl[4-(pyridin-3-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor delta, ... | | 著者 | Wu, C.-C, Baiga, T.J, Downes, M, La Clair, J.J, Atkins, A.R, Richard, S.B, Stockley-Noel, T.A, Bowman, M.E, Evans, R.M, Noel, J.P. | | 登録日 | 2016-12-03 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor delta.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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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
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7KZ0
 | | Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine | | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ... | | 著者 | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | 登録日 | 2020-12-09 | | 公開日 | 2021-11-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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6TE4
 | | Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide | | 分子名称: | Pro-Pro-Leu-Ala-Ser-Lys, Tse8 | | 著者 | Sainz-Polo, M.A, Capuni, R, Lucas, M, Altuna, J, Fucini, P, Montanchez, I, Albesa-Jove, D. | | 登録日 | 2019-11-11 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8.
J.Struct.Biol., 212, 2020
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5KBT
 | | Cryo-EM structure of GluA2-1xSTZ complex at 6.4 Angstrom resolution | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid | | 著者 | Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I. | | 登録日 | 2016-06-03 | | 公開日 | 2016-07-13 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (6.4 Å) | | 主引用文献 | Elucidation of AMPA receptor-stargazin complexes by cryo-electron microscopy.
Science, 353, 2016
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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
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5CFM
 | | Crystal structure of anemone STING (Nematostella vectensis) in complex with 3', 3' cGAMP, c[G(3', 5')pA(3', 5')p] | | 分子名称: | 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, CITRATE ANION, Stimulator of Interferon Genes | | 著者 | Kranzusch, P.J, Wilson, S.C, Lee, A.S.Y, Berger, J.M, Doudna, J.A, Vance, R.E. | | 登録日 | 2015-07-08 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.994 Å) | | 主引用文献 | Ancient Origin of cGAS-STING Reveals Mechanism of Universal 2',3' cGAMP Signaling.
Mol.Cell, 59, 2015
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4YQN
 | | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | | 分子名称: | 6-{[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Elkins, P.A, Bonnette, W.G, Madauss, K.P. | | 登録日 | 2015-03-13 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
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4YQU
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide | | 著者 | Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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5U6C
 | | Crystal structure of the Mer kinase domain in complex with a macrocyclic inhibitor | | 分子名称: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase Mer | | 著者 | Gajiwala, K.S, Ferre, R.A. | | 登録日 | 2016-12-07 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase.
J. Biol. Chem., 292, 2017
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5CI0
 | | Ribonucleotide reductase Y122 3,5-F2Y variant | | 分子名称: | MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1, beta subunit, ... | | 著者 | Funk, M.A, Drennan, C.L. | | 登録日 | 2015-07-10 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
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5U7Z
 | | Human acid ceramidase (ASAH1, aCDase) self-activated | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid ceramidase, SULFATE ION, ... | | 著者 | Gebai, A, Gorelik, A, Illes, K, Nagar, B. | | 登録日 | 2016-12-13 | | 公開日 | 2018-03-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for the activation of acid ceramidase.
Nat Commun, 9, 2018
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4QJA
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5U9N
 | | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine | | 分子名称: | Bromo domain containing protein, Bromosporine, SULFATE ION | | 著者 | Hou, C.F.D, Lin, Y.H, Loppnau, P, Hutchinson, A, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2016-12-16 | | 公開日 | 2017-01-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Second Bromodomain of cdg4_1340 from Cryptosporidium parvum, complexed with bromosporine
To be published
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4YSZ
 | | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide | | 分子名称: | 2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide, Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | | 登録日 | 2015-03-17 | | 公開日 | 2015-08-05 | | 最終更新日 | 2020-02-05 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Int J Mol Sci, 16, 2015
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7BO3
 | | Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Brazzolotto, X, Meden, A, Knez, D, Nachon, F, Gobec, S. | | 登録日 | 2021-01-23 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.
Eur.J.Med.Chem., 234, 2022
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7KOC
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4YQT
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5UEK
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8K6Y
 | | Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Zoric, D, Sandelin, E, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2023-07-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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4YVD
 | | Crytsal structure of human Pleiotropic Regulator 1 (PRL1) | | 分子名称: | CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ... | | 著者 | Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-19 | | 公開日 | 2015-04-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
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5UAH
 | | Escherichia coli RNA polymerase and Rifampin complex, RpoB D516V mutant | | 分子名称: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | 著者 | Molodtsov, V, Scharf, N.T, Stefan, M.A, Garcia, G.A, Murakami, K.S. | | 登録日 | 2016-12-19 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | | 主引用文献 | Structural basis for rifamycin resistance of bacterial RNA polymerase by the three most clinically important RpoB mutations found in Mycobacterium tuberculosis.
Mol. Microbiol., 103, 2017
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8K65
 | | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | | 著者 | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G. | | 登録日 | 2023-07-25 | | 公開日 | 2023-11-15 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
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3H09
 | | The structure of Haemophilus influenzae IgA1 protease | | 分子名称: | ACETATE ION, Immunoglobulin A1 protease, MALONIC ACID, ... | | 著者 | Johnson, T.A, Qiu, J, Plaut, A.G, Holyoak, T. | | 登録日 | 2009-04-08 | | 公開日 | 2009-04-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Active-Site Gating Regulates Substrate Selectivity in a Chymotrypsin-Like Serine Protease The Structure of Haemophilus influenzae Immunoglobulin A1 Protease.
J.Mol.Biol., 389, 2009
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