7MYI
 
 | | BACE-1 in complex with compound #6 | | 分子名称: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | | 著者 | Hendle, J, Timm, D.E, Stout, S.L. | | 登録日 | 2021-05-21 | | 公開日 | 2021-07-21 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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7BHL
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7BCX
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 8 hours. | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ... | | 著者 | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | 登録日 | 2020-12-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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4O2R
 | | Structure of Mus musculus Rheb G63V mutant bound to GDP | | 分子名称: | GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | 著者 | Mazhab-Jafari, M.T, Marshall, C.B, Ho, J, Ishiyama, N, Stambolic, V, Ikura, M. | | 登録日 | 2013-12-17 | | 公開日 | 2014-03-26 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure-guided mutation of the conserved G3-box glycine in Rheb generates a constitutively activated regulator of mammalian target of rapamycin (mTOR).
J.Biol.Chem., 289, 2014
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7BDM
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 98 hours. | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ... | | 著者 | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | 登録日 | 2020-12-22 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | | 主引用文献 | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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6JGM
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8GLZ
 | | Crystal structure of T252E-CYP199A4 in complex with 4-hydroxybenzoic acid. Crystal was initially co-crystallised with 4-methoxybenzoic acid and soaked with 4 mM hydrogen peroxide | | 分子名称: | CHLORIDE ION, Cytochrome P450, P-HYDROXYBENZOIC ACID, ... | | 著者 | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | | 登録日 | 2023-03-23 | | 公開日 | 2023-12-27 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | An In Crystallo Reaction with an Engineered Cytochrome P450 Peroxygenase.
Chemistry, 30, 2024
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7BD0
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 26 hours. | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, IMIDAZOLE, ... | | 著者 | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | 登録日 | 2020-12-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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7BCU
 | | The adduct of NAMI-A with Hen Egg White Lysozyme at 1.5 hours. | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ... | | 著者 | Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A. | | 登録日 | 2020-12-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
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6DWR
 | | Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Luo, M, Eaton, C.N, Phillips-Piro, C.M. | | 登録日 | 2018-06-27 | | 公開日 | 2019-07-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.319 Å) | | 主引用文献 | Paired Spectroscopic and Crystallographic Studies of Protease Active Sites
Chemistryselect, 4, 2019
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8GM2
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4O34
 | | Room temperature macromolecular serial crystallography using synchrotron radiation | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Stellato, F, Oberthuer, D, Liang, M, Bean, R, Gati, C, Yefanov, O, Barty, A, Burkhardt, A, Fischer, P, Galli, L, Kirian, R.A, Mayer, J, Pannerselvam, S, Yoon, C.H, Chervinskii, F, Speller, E, White, T.A, Betzel, C, Meents, A, Chapman, H.N. | | 登録日 | 2013-12-18 | | 公開日 | 2014-06-11 | | 最終更新日 | 2019-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Room-temperature macromolecular serial crystallography using synchrotron radiation.
IUCrJ, 1, 2014
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6ANL
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | | 分子名称: | Mitogen-activated protein kinase 14, TAK-715 | | 著者 | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | | 登録日 | 2017-08-14 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
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7MYY
 | | Crystal Structure of HIV-1 PRS17 with GRL-142 | | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Agniswamy, J, Weber, I.T. | | 登録日 | 2021-05-22 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 .
Biochem.Biophys.Res.Commun., 566, 2021
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6DH3
 | | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with darunavir | | 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, 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 (1.908 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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6AOD
 | | FXIa antibody complex | | 分子名称: | COBALT (II) ION, Coagulation factor XI, FXIa Antibody FAB Heavy Chain, ... | | 著者 | Lolicato, M, Minor, D.L. | | 登録日 | 2017-08-15 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Activity and Specificity of an Anticoagulant Anti-FXIa Monoclonal Antibody and a Reversal Agent.
Structure, 26, 2018
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5V5X
 | | Protocadherin gammaB7 EC3-6 cis-dimer structure | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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 | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | | 登録日 | 2017-03-15 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4O0X
 | | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | | 分子名称: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | | 著者 | Rouge, L, Tam, C, Wang, W. | | 登録日 | 2013-12-14 | | 公開日 | 2014-02-12 | | 最終更新日 | 2014-11-05 | | 実験手法 | X-RAY DIFFRACTION (2.483 Å) | | 主引用文献 | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors.
J.Med.Chem., 57, 2014
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6APR
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7MYP
 | | Crystal Structure of HIV-1 PRS17 with GRL-44-10A | | 分子名称: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | 著者 | Agniswamy, J, Weber, I.T. | | 登録日 | 2021-05-21 | | 公開日 | 2021-07-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel HIV PR inhibitors with C4-substituted bis-THF and bis-fluoro-benzyl target the two active site mutations of highly drug resistant mutant PR S17 .
Biochem.Biophys.Res.Commun., 566, 2021
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8GDY
 | | Crystal structure of the human PDI first domain with 9 mutations | | 分子名称: | 1,2-ETHANEDIOL, Protein disulfide-isomerase, THIOCYANATE ION | | 著者 | Forouhar, F, Banayan, N.E, Loughlin, B.L, Singh, S, Wong, V, Hunt, H.S, Handelman, S.K, Price, N, Hunt, J.F. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Systematic enhancement of protein crystallization efficiency by bulk lysine-to-arginine (KR) substitution.
Protein Sci., 33, 2024
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7BMS
 | | HEWL in cesium chloride (1.5 M CsCl in crystallization condition and cryo protectant) | | 分子名称: | 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ... | | 著者 | Koelmel, W, Kuper, J, Kisker, C. | | 登録日 | 2021-01-20 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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4O35
 | | Crystal structure of carbomonoxy murine neuroglobin mutant F106W | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, Neuroglobin, ... | | 著者 | Avella, G, Savino, C, Vallone, B. | | 登録日 | 2013-12-18 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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7BMO
 | | HEWL in cesium chloride (0.25 M CsCl in protein buffer) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Hen egg white lysozyme, ... | | 著者 | Koelmel, W, Kuper, J, Kisker, C. | | 登録日 | 2021-01-20 | | 公開日 | 2021-10-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cesium based phasing of macromolecules: a general easy to use approach for solving the phase problem.
Sci Rep, 11, 2021
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7NAA
 | | Crystal structure of Mycobacterium tuberculosis H37Rv PknF kinase domain | | 分子名称: | (4-{[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino}phenyl)[4-(pyrrolidin-1-yl)piperidin-1-yl]methanone, Non-specific serine/threonine protein kinase | | 著者 | Oliveira, A.A, Cabarca, S, dos Reis, C.V, Takarada, J.E, Counago, R.M, Balan, A, Structural Genomics Consortium (SGC) | | 登録日 | 2021-06-21 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure of the Mycobacterium tuberculosis c PknF and conformational changes induced in forkhead-associated regulatory domains.
Curr Res Struct Biol, 3, 2021
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