5TND
 
 | | Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate | | 分子名称: | (1R,2R)-cyclohexane-1,2-diol, (1S,2S)-cyclohexane-1,2-diol, CFTR inhibitory factor | | 著者 | Hvorecny, K.L, Madden, D.R. | | 登録日 | 2016-10-14 | | 公開日 | 2017-10-11 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
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4ACD
 | | GSK3b in complex with inhibitor | | 分子名称: | 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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3LU9
 | | Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Proteinase-activated receptor 1, ... | | 著者 | Gandhi, P.S, Chen, Z, Di Cera, E. | | 登録日 | 2010-02-17 | | 公開日 | 2010-03-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of thrombin bound to the uncleaved extracellular fragment of PAR1.
J.Biol.Chem., 285, 2010
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4PZW
 | | Synthesis, Characterization and PK/PD Studies of a Series of Spirocyclic Pyranochromene BACE1 Inhibitors | | 分子名称: | (4R,4a'S,10a'S)-7'-(5-chloropyridin-3-yl)-3',4',4a',10a'-tetrahydro-1'H-spiro[1,3-oxazole-4,5'-pyrano[3,4-b]chromen]-2-amine, Beta-secretase 1, NICKEL (II) ION | | 著者 | Vigers, G.P.A. | | 登録日 | 2014-03-31 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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5TM5
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, 5-(4-((1R,4S,6R)-6-((4-bromophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenoxy)pentanoic acid | | 分子名称: | 5-{4-[(1S,4S,5R)-5-[(4-bromophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy}pentanoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | 著者 | Nwachukwu, J.C, Wright, N.J, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2016-10-12 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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2XB7
 | | Structure of Human Anaplastic Lymphoma Kinase in complex with NVP- TAE684 | | 分子名称: | 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, ALK TYROSINE KINASE RECEPTOR | | 著者 | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | | 登録日 | 2010-04-08 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors.
Biochemistry, 49, 2010
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4ACH
 | | GSK3b in complex with inhibitor | | 分子名称: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4IGU
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3LVU
 | | Crystal structure of ABC transporter, periplasmic substrate-binding protein SPO2066 from Silicibacter pomeroyi | | 分子名称: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ABC transporter, ... | | 著者 | Chang, C, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2010-02-22 | | 公開日 | 2010-03-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Crystal structure of ABC transporter, periplasmic substrate-binding protein SPO2066 from Silicibacter pomeroyi
To be Published
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3AJ4
 | | Crystal structure of the PH domain of Evectin-2 from human complexed with O-phospho-L-serine | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHOSERINE, Pleckstrin homology domain-containing family B member 2 | | 著者 | Okazaki, S, Kato, R, Wakatsuki, S. | | 登録日 | 2010-05-21 | | 公開日 | 2011-05-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Intracellular phosphatidylserine is essential for retrograde membrane traffic through endosomes
Proc.Natl.Acad.Sci.USA, 108, 2011
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6EIT
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4Q2P
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1RGG
 | | HYDROLASE, GUANYLORIBONUCLEASE | | 分子名称: | RIBONUCLEASE, SULFATE ION | | 著者 | Sevcik, J, Dauter, Z, Lamzin, V.S, Wilson, K.S. | | 登録日 | 1995-06-05 | | 公開日 | 1996-10-14 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Ribonuclease from Streptomyces aureofaciens at atomic resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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1RGZ
 | | Enterobacter cloacae GC1 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime | | 分子名称: | GLYCEROL, class C beta-lactamase, {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID | | 著者 | Nukaga, M, Kumar, S, Nukaga, K, Pratt, R.F, Knox, J.R. | | 登録日 | 2003-11-13 | | 公開日 | 2004-04-06 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Hydrolysis of third-generation cephalosporins by class C beta-lactamases. Structures of a transition state analog of cefotoxamine in wild-type and extended spectrum enzymes.
J.Biol.Chem., 279, 2004
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4QGX
 | | Crystal structure of the R132K:R111L:L121E mutant of Cellular Retinoic Acid Binding ProteinII complexed with a synthetic ligand (Merocyanine) at 1.47 angstrom resolution | | 分子名称: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, Cellular retinoic acid-binding protein 2 | | 著者 | Nosrati, M, Yapici, I, Geiger, J.H. | | 登録日 | 2014-05-26 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.471 Å) | | 主引用文献 | "Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
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5ZRI
 | | M. smegmatis antimutator protein MutT2 in complex with 5m-dCMP | | 分子名称: | MAGNESIUM ION, Putative mutator protein MutT2/NUDIX hydrolase, [(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | 著者 | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | | 登録日 | 2018-04-24 | | 公開日 | 2019-04-24 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
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5ZRY
 | | Crystal Structure of EphA6/Odin Complex | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ankyrin repeat and SAM domain-containing protein 1A,Ephrin type-A receptor 6, ... | | 著者 | Wang, Y, Shang, Y, Li, J, Chen, W, Li, G, Wan, J, Liu, W, Zhang, M. | | 登録日 | 2018-04-25 | | 公開日 | 2018-05-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Specific Eph receptor-cytoplasmic effector signaling mediated by SAM-SAM domain interactions.
Elife, 7, 2018
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4YAY
 | | XFEL structure of human Angiotensin Receptor | | 分子名称: | 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor | | 著者 | Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2015-02-18 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
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2DWV
 | | Solution structure of the second WW domain from mouse salvador homolog 1 protein (mWW45) | | 分子名称: | Salvador homolog 1 protein | | 著者 | Ohnishi, S, Kigawa, T, Koshiba, S, Tomizawa, T, Sato, M, Tochio, N, Inoue, M, Harada, T, Watanabe, S, Guntert, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-08-17 | | 公開日 | 2007-02-17 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of an atypical WW domain in a novel beta-clam-like dimeric form
Febs Lett., 581, 2007
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3IOB
 | | Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.80 Ang resolution in complex with 5'-deoxy-5'-thioadenosine | | 分子名称: | 5'-thioadenosine, ETHANOL, GLYCEROL, ... | | 著者 | Ciulli, A, Scott, D.E, Abell, C. | | 登録日 | 2009-08-14 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry
Chembiochem, 10, 2009
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5M63
 | | Crystal structure of group B Streptococcus type III DP2 oligosaccharide bound to Fab NVS-1-19-5 | | 分子名称: | (2~{R},3~{R},4~{S},5~{S})-2-[bis(oxidanyl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol, 1,2-ETHANEDIOL, H chain of Fab NVS-1-19-5, ... | | 著者 | Carboni, F, Adamo, R, Veggi, D, Rappuoli, R, Malito, E, Margarit, I.R, Berti, F. | | 登録日 | 2016-10-24 | | 公開日 | 2017-05-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3Q8G
 | | Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CRAL-TRIO domain-containing protein YKL091C, GLYCEROL | | 著者 | Ortlund, E.A, Schaaf, G, Bankaitis, V.A. | | 登録日 | 2011-01-06 | | 公開日 | 2011-02-23 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Resurrection of a functional phosphatidylinositol transfer protein from a pseudo-Sec14 scaffold by directed evolution.
Mol.Biol.Cell, 22, 2011
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2AYW
 | | Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, BENZAMIDINE, ... | | 著者 | Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P. | | 登録日 | 2005-09-09 | | 公開日 | 2006-01-17 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (0.97 Å) | | 主引用文献 | Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
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4QLQ
 | | yCP in complex with tripeptidic epoxyketone inhibitor 8 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | | 著者 | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | | 登録日 | 2014-06-13 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
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5ZWI
 | | Interaction between Vitamin D receptor (VDR) and a ligand having a dienone group | | 分子名称: | (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, 13-meric peptide from DRIP205 NR2 BOX peptide, Vitamin D3 receptor | | 著者 | Yoshizawa, M, Itoh, T, Anami, Y, Kato, A, Yoshimoto, N, Yamamoto, K. | | 登録日 | 2018-05-15 | | 公開日 | 2018-07-18 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands
J. Med. Chem., 61, 2018
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