4ORS
 
 | | Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase apo-form | | 分子名称: | Prostaglandin-H2 D-isomerase, SULFATE ION | | 著者 | Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. | | 登録日 | 2014-02-12 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase.
Acta Crystallogr.,Sect.D, 70, 2014
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6D45
 | | L89S Mutant of FeBMb Sperm Whale Myoglobin | | 分子名称: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Bhagi-Damodaran, A, Mirts, E.N, Sandoval, B, Lu, Y. | | 登録日 | 2018-04-17 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.779 Å) | | 主引用文献 | Heme redox potentials hold the key to reactivity differences between nitric oxide reductase and heme-copper oxidase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7LYZ
 | | PROTEIN MODEL BUILDING BY THE USE OF A CONSTRAINED-RESTRAINED LEAST-SQUARES PROCEDURE | | 分子名称: | HEN EGG WHITE LYSOZYME | | 著者 | Moult, J, Yonath, A, Sussman, J, Herzberg, O, Podjarny, A, Traub, W. | | 登録日 | 1977-05-06 | | 公開日 | 1977-06-20 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Protein Model Building by the Use of a Constrained-Restrained Least-Squares Procedure
J.Appl.Crystallogr., 16, 1983
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4OS5
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6JSF
 | | Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | 著者 | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2019-04-08 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
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6D4G
 | | N-GTPase domain of p190RhoGAP-A | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 35 | | 著者 | Stiegler, A.L, Boggon, T.J. | | 登録日 | 2018-04-18 | | 公開日 | 2018-09-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The N-Terminal GTPase Domain of p190RhoGAP Proteins Is a PseudoGTPase.
Structure, 26, 2018
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5YLW
 | | CYP76AH1 from Salvia miltiorrhiza | | 分子名称: | Ferruginol synthase, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Chang, Z. | | 登録日 | 2017-10-20 | | 公開日 | 2018-10-24 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | CYP76AH1 from Salvia miltiorrhiza
To Be Published
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6D6E
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7LPR
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6DH5
 | | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass6 | | 分子名称: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | | 著者 | Lockbaum, G.J, Schiffer, C.A. | | 登録日 | 2018-05-18 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | | 主引用文献 | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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5VCK
 | | HIV Protease (PR) with TL-3 in the active site and (Z)-N-(thiazol-2-yl)-N'-tosylcarbamimidate in the exosite | | 分子名称: | 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide, Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | 著者 | Tiefenbrunn, T, Stout, C.D. | | 登録日 | 2017-03-31 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
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6DHC
 | | X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand | | 分子名称: | (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide, Beta-secretase 1, GLYCEROL, ... | | 著者 | Mesecar, A.D, Lendy, E.K. | | 登録日 | 2018-05-19 | | 公開日 | 2018-07-25 | | 最終更新日 | 2020-01-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand.
Bioorg. Med. Chem. Lett., 28, 2018
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7LHJ
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5V24
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6DHS
 | | Structure of hnRNP H qRRM1,2 | | 分子名称: | Heterogeneous nuclear ribonucleoprotein H | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2018-05-21 | | 公開日 | 2018-09-12 | | 最終更新日 | 2019-12-18 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H.
J. Am. Chem. Soc., 2018
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5YQH
 | | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid | | 分子名称: | 4-methoxybenzamide, CHLORIDE ION, Cytochrome P450, ... | | 著者 | Zhou, W, Zhang, T, Qiao, R, Bell, S, Coleman, T. | | 登録日 | 2017-11-06 | | 公開日 | 2019-02-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published
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5UK9
 | | Wild-type K-Ras(GCP) pH 6.5 | | 分子名称: | GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Parker, J.A, Mattos, C. | | 登録日 | 2017-01-20 | | 公開日 | 2018-01-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.887 Å) | | 主引用文献 | K-Ras Populates Conformational States Differently from Its Isoform H-Ras and Oncogenic Mutant K-RasG12D.
Structure, 26, 2018
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5UKF
 | | Crystal Structure of the Human Vaccinia-related Kinase 1 Bound to an Oxindole Inhibitor | | 分子名称: | 4-{[(Z)-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}benzene-1-sulfonamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Counago, R.M, Wells, C, Zuercher, W, Willson, T.M, Bountra, C, Edwards, A.M, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2017-01-22 | | 公開日 | 2017-03-29 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of human Vaccinia-Related Kinases (VRK) bound to small-molecule inhibitors identifies different P-loop conformations.
Sci Rep, 7, 2017
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4O6L
 | | Crystal Structure of TTK kinase domain with an inhibitor: 401498 (N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide) | | 分子名称: | Dual specificity protein kinase TTK, GLYCEROL, N-[(1R)-1-(2-chlorophenyl)propyl]-3-{4-[(1-methylpiperidin-4-yl)oxy]phenyl}-1H-indazole-5-carboxamide | | 著者 | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Chirgadze, N.Y. | | 登録日 | 2013-12-22 | | 公開日 | 2014-12-24 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Crystal Structure of TTK kinase domain with an inhibitor: 401498
TO BE PUBLISHED
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5YMX
 | | Myxococcus xanthus MglA in GDP bound conformation | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Baranwal, J, Gayathri, P. | | 登録日 | 2017-10-22 | | 公開日 | 2018-10-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility.
Plos Biol., 17, 2019
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5V5J
 | | oxyferrous Dehaloperoxidase B | | 分子名称: | Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... | | 著者 | Carey, L.M, Ghiladi, R.A. | | 登録日 | 2017-03-14 | | 公開日 | 2018-03-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | | 主引用文献 | How nature tunes isoenzyme activity in the multifunctional catalytic globin dehaloperoxidase from Amphitrite ornata.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6D6F
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6JT3
 | | Crystal Structure of BACE1 in complex with N-{3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Tadano, G, Komano, K, Yoshida, S, Suzuki, S, Nakahara, K, Fuchino, K, Fujimoto, K, Matsuoka, E, Yamamoto, T, Asada, N, Ito, H, Sakaguchi, G, Kanegawa, N, Kido, Y, Ando, S, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Bergh, A.V.D, Austin, N, Gijsen, H.J.M, Yamano, Y, Iso, Y, Kusakabe, K.I. | | 登録日 | 2019-04-08 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
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6DC0
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5ULU
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