4NY4
| Crystal structure of CYP3A4 in complex with an inhibitor | 分子名称: | (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Branden, G, Sjogren, T, Xue, Y. | 登録日 | 2013-12-10 | 公開日 | 2014-08-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19, 2014
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5WXR
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6BDM
| Crystal structure of human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2017-10-23 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
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6EOE
| Crystal structure of AMPylated GRP78 with nucleotide | 分子名称: | 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, CITRATE ANION, ... | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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6BFD
| BACE crystal structure with hydroxy pyrrolidine inhibitor | 分子名称: | 2-{[(2S)-butan-2-yl]amino}-N-{(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl}-6-(methylsulfonyl)pyridine-4-carboxamide, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2017-10-26 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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6ELD
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4O0T
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7DT9
| D30N HIV Protease in complex with Saquinavir | 分子名称: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, Protease | 著者 | Bihani, S.C, Hosur, M.V. | 登録日 | 2021-01-04 | 公開日 | 2022-01-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | D30N HIV Protease in complex with Saquinavir To Be Published
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6BFW
| BACE crystal structure with hydroxy morpholine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(1S,2S)-1-[(3R,6R)-6-(cyclohexylmethoxy)morpholin-3-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide | 著者 | Timm, D.E. | 登録日 | 2017-10-27 | 公開日 | 2017-11-15 | 最終更新日 | 2017-12-27 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences. J. Med. Chem., 60, 2017
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4O22
| Binary complex of metal-free PKAc with SP20. | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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5WWG
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6ENP
| Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group. | 分子名称: | CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ... | 著者 | Prats-Ejarque, G, Moussaoui, M, Boix, E. | 登録日 | 2017-10-05 | 公開日 | 2018-10-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.042 Å) | 主引用文献 | Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates. Biochim Biophys Acta Gen Subj, 1863, 2019
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5WOH
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5WWX
| Crystal structure of the KH2 domain of human RNA-binding E3 ubiquitin-protein ligase MEX-3C complex with RNA | 分子名称: | NICKEL (II) ION, RNA (5'-R(P*AP*GP*AP*GP*U)-3'), RNA-binding E3 ubiquitin-protein ligase MEX3C | 著者 | Yang, L, Wang, C, Li, F, Gong, Q. | 登録日 | 2017-01-05 | 公開日 | 2017-08-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The human RNA-binding protein and E3 ligase MEX-3C binds the MEX-3-recognition element (MRE) motif with high affinity J. Biol. Chem., 292, 2017
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6EOB
| Crystal structure of AMPylated GRP78 in apo form (Crystal form 1) | 分子名称: | 78 kDa glucose-regulated protein, PHOSPHATE ION | 著者 | Yan, Y, Preissler, S, Ron, D, Read, R.J. | 登録日 | 2017-10-09 | 公開日 | 2017-11-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation. Elife, 6, 2017
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5WP1
| Complex of ERK2 with 5,7-dihydroxychromone | 分子名称: | 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ... | 著者 | Kurinov, I, Malakhova, M. | 登録日 | 2017-08-03 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers To Be Published
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4O4T
| MURINE NEUROGLOBIN UNDER XENON PRESSURE 30 bar | 分子名称: | Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Colloc'h, N, Prange, T, Vallone, B. | 登録日 | 2013-12-19 | 公開日 | 2014-09-24 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence for Protein-dependent Processes in the Mechanisms of General Anesthesia Anesthesiology, 121, 2014
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5WPL
| KRas G12V, bound to GppNHp and miniprotein 225-11 | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | 著者 | Lee, S.-J, Shim, S.Y, McGee, J.H, Verdine, G.L. | 登録日 | 2017-08-05 | 公開日 | 2018-01-03 | 最終更新日 | 2018-03-14 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Exceptionally high-affinity Ras binders that remodel its effector domain. J. Biol. Chem., 293, 2018
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5WRC
| Crystal structure of proteinase K from Engyodontium album | 分子名称: | NITRATE ION, PRASEODYMIUM ION, Proteinase K | 著者 | Sugahara, M, Nakane, T, Suzuki, M, Masuda, T, Inoue, S, Numata, K. | 登録日 | 2016-12-01 | 公開日 | 2017-11-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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4NLI
| Crystal structure of sheep beta-lactoglobulin (space group P3121) | 分子名称: | Beta-lactoglobulin-1/B, SULFATE ION | 著者 | Loch, J.I, Molenda, M, Kopec, M, Swiatek, S, Lewinski, K. | 登録日 | 2013-11-14 | 公開日 | 2014-03-12 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of two crystal forms of sheep beta-lactoglobulin with EF-loop in closed conformation Biopolymers, 101, 2014
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6JB5
| Crystal structure of nanobody D3-L11 mutant Y102A in complex with hen egg-white lysozyme (form II) | 分子名称: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | 著者 | Caaveiro, J.M.M, Tamura, H, Akiba, H, Tsumoto, K. | 登録日 | 2019-01-25 | 公開日 | 2019-11-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structural and thermodynamic basis for the recognition of the substrate-binding cleft on hen egg lysozyme by a single-domain antibody. Sci Rep, 9, 2019
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4NTS
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6E5R
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4NUS
| Rsk2 N-terminal kinase in complex with LJH685 | 分子名称: | 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3 | 著者 | Appleton, B.A. | 登録日 | 2013-12-04 | 公開日 | 2014-03-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers. Mol Cancer Res, 12, 2014
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6AYD
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