5CKM
 
 | | The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+ | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2 | | 著者 | Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J. | | 登録日 | 2015-07-15 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
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3AQ5
 | | Crystal structure of truncated hemoglobin from Tetrahymena pyriformis, Fe(II)-O2 form | | 分子名称: | Group 1 truncated hemoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Igarashi, J, Kobayashi, K, Matsuoka, A. | | 登録日 | 2010-10-25 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A hydrogen-bonding network formed by the B10-E7-E11 residues of a truncated hemoglobin from Tetrahymena pyriformis is critical for stability of bound oxygen and nitric oxide detoxification.
J.Biol.Inorg.Chem., 16, 2011
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7KNG
 | | 2.10A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-2 Y7F) | | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, DTY-ASP-TYR-PRO-GLY-ASP-PHE-CYS-TYR-LEU-TYR-GLY-THR-CYS, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | 登録日 | 2020-11-04 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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3AR8
 | | Calcium pump crystal structure with bound AlF4, TNP-AMP and TG | | 分子名称: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | 著者 | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | | 登録日 | 2010-11-24 | | 公開日 | 2011-02-02 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+
Proc.Natl.Acad.Sci.USA, 108, 2011
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5CM5
 | | Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus | | 分子名称: | Hydroxyethylthiazole kinase | | 著者 | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | | 登録日 | 2015-07-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
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5K79
 | | Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog | | 分子名称: | 1,2-ETHANEDIOL, Cyanovirin-N domain protein, DI(HYDROXYETHYL)ETHER | | 著者 | Matei, E, Basu, R, Furey, W, Shi, J, Calnan, C, Aiken, C, Gronenborn, A.M. | | 登録日 | 2016-05-25 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and Glycan Binding of a New Cyanovirin-N Homolog.
J.Biol.Chem., 291, 2016
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3AR6
 | | Calcium pump crystal structure with bound TNP-ADP and TG in the absence of calcium | | 分子名称: | 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate), MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | | 著者 | Toyoshima, C, Yonekura, S, Tsueda, J, Iwasawa, S. | | 登録日 | 2010-11-24 | | 公開日 | 2011-02-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+.
Proc.Natl.Acad.Sci.USA, 108, 2011
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8A65
 | | Small molecule stabilizer (compound 3) for FOXO1 and 14-3-3 | | 分子名称: | (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide, 14-3-3 protein sigma, Forkhead box protein O1, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | 分子名称: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | 著者 | Lindberg, J, Borkakoti, N, Derbyshire, D. | | 登録日 | 2012-02-13 | | 公開日 | 2012-07-11 | | 最終更新日 | 2013-01-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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1OYK
 | | Crystal Structures of the Ferric, Ferrous, and Ferrous-NO Forms of the Asp140Ala Mutant of Human Heme Oxygenase-1: Catalytic Implications | | 分子名称: | Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Lad, L, Wang, J, Li, H, Friedman, J, Ortiz de Montellano, P.R, Poulos, T.L. | | 登録日 | 2003-04-04 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Crystal structures of the ferric, ferrous, and ferrous-NO forms of the Asp140Ala mutant of human heme oxygenase-1: catalytic implications
J.Mol.Biol., 330, 2003
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8A68
 | | Small molecule stabilizer (compound 5) for C-RAF(pS259) and 14-3-3 | | 分子名称: | 14-3-3 protein sigma, MAGNESIUM ION, RAF proto-oncogene serine/threonine-protein kinase, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-16 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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5JPD
 | | Metal ABC transporter from Listeria monocytogenes with cadmium | | 分子名称: | CADMIUM ION, CHLORIDE ION, Manganese-binding lipoprotein MntA | | 著者 | Osipiuk, J, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-05-03 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Metal ABC transporter from Listeria monocytogenes with cadmium
to be published
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7ZQU
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3ATL
 | | Crystal structure of trypsin complexed with benzamidine | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Yamane, J, Yao, M, Tanaka, I. | | 登録日 | 2011-01-05 | | 公開日 | 2011-08-24 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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8A6F
 | | Small molecule stabilizer (compound 8) for C-RAF and 14-3-3 | | 分子名称: | 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one, 14-3-3 protein sigma, CHLORIDE ION, ... | | 著者 | Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R. | | 登録日 | 2022-06-17 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023
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8IW5
 | | Crystal structure of liprin-beta H2H3 dimer | | 分子名称: | CALCIUM ION, Liprin-beta-1 | | 著者 | Zhang, J, Chen, S, Wei, Z. | | 登録日 | 2023-03-29 | | 公開日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
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5JPQ
 | | Cryo-EM structure of the 90S pre-ribosome | | 分子名称: | 18S ribosomal RNA, Bms1, Emg1, ... | | 著者 | Turk, M, Cheng, J, Berninghausen, O, Kornprobst, M, Flemming, D, Kos-Braun, I.C, Kos, M, Thoms, M, Hurt, E, Beckmann, R. | | 登録日 | 2016-05-04 | | 公開日 | 2016-07-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.3 Å) | | 主引用文献 | Architecture of the 90S Pre-ribosome: A Structural View on the Birth of the Eukaryotic Ribosome.
Cell, 166, 2016
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8J3S
 | | Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand | | 分子名称: | Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY | | 著者 | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | | 登録日 | 2023-04-18 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | | 主引用文献 | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.
Acs Med.Chem.Lett., 14, 2023
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5JUW
 | | complex of Dot1l with SS148 | | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | 著者 | Yu, W, Tempel, W, Li, Y, Spurr, S.S, Bayle, E.D, Fish, P.V, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2016-05-10 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Complex of Dot1l with SS148
To Be Published
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3J28
 | | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM | | 分子名称: | 16S rRNA | | 著者 | Guo, Q, Goto, S, Chen, Y, Muto, A, Himeno, H, Deng, H, Lei, J, Gao, N. | | 登録日 | 2012-09-28 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (12.9 Å) | | 主引用文献 | Dissecting the in vivo assembly of the 30S ribosomal subunit reveals the role of RimM and general features of the assembly process
Nucleic Acids Res., 41, 2013
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5C9F
 | | Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii | | 分子名称: | ApRick protease, CHLORIDE ION, SODIUM ION | | 著者 | Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A. | | 登録日 | 2015-06-26 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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7ZYN
 | | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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5CAE
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5KBM
 | | Candida Albicans Superoxide Dismutase 5 (SOD5), D113N Mutant | | 分子名称: | COPPER (I) ION, Cell surface Cu-only superoxide dismutase 5, SULFATE ION | | 著者 | Galaleldeen, A, Peterson, R.L, Villarreal, J, Taylor, A.B, Hart, P.J. | | 登録日 | 2016-06-03 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | | 主引用文献 | The Phylogeny and Active Site Design of Eukaryotic Copper-only Superoxide Dismutases.
J.Biol.Chem., 291, 2016
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7ZYM
 | | Crystal Structure of EGFR-T790M/C797S in Complex with Brigatinib | | 分子名称: | 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, Epidermal growth factor receptor | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
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