8IVG
 
 | | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1/Nrf2 PPI Inhibitor for Treatment of Chronic Kidney Disease | | 分子名称: | (3S)-3-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanoylamino]propanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Kelch-like ECH-associated protein 1, ... | | 著者 | Otake, K, Ubukata, M, Nagahashi, N, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | | 登録日 | 2023-03-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Methyl and Fluorine Effects in Novel Orally Bioavailable Keap1-Nrf2 PPI Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7XGO
 | | Human renin in complex with compound2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | 著者 | Kashima, A. | | 登録日 | 2022-04-05 | | 公開日 | 2022-08-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7XGK
 | | Human renin in complex with compound1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, UNKNOWN LIGAND | | 著者 | Kashima, A. | | 登録日 | 2022-04-05 | | 公開日 | 2022-08-31 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors.
Acs Med.Chem.Lett., 13, 2022
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7UKV
 | | Wild type EGFR in complex with Lazertinib (YH25448) | | 分子名称: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | | 著者 | Beyett, T.S, Pham, C, Eck, M.J, Heppner, D.E. | | 登録日 | 2022-04-02 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
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7UR3
 | | Hsp90 alpha inhibitor | | 分子名称: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone, Heat shock protein HSP 90-alpha | | 著者 | Deng, J, Peng, S, Balch, M, Matts, R. | | 登録日 | 2022-04-21 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Activity Relationship Study of Tertiary Alcohol Hsp90 alpha-Selective Inhibitors with Novel Binding Mode.
Acs Med.Chem.Lett., 13, 2022
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7YF6
 | | Crystal structure of HIV-1 protease in complex with macrocyclic peptide | | 分子名称: | MAGNESIUM ION, Macrocyclic Peptide, Protease | | 著者 | Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H. | | 登録日 | 2022-07-07 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization.
Acs Med.Chem.Lett., 13, 2022
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4U78
 | | Octameric RNA duplex soaked in copper(II)chloride | | 分子名称: | CALCIUM ION, COPPER (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3') | | 著者 | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | | 登録日 | 2014-07-30 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | | 主引用文献 | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
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4U8I
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A | | 分子名称: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | 著者 | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | 登録日 | 2014-08-03 | | 公開日 | 2014-12-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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4U0F
 | | Hexameric HIV-1 CA in Complex with BI-2 | | 分子名称: | (4S)-4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 1,2-ETHANEDIOL, Capsid protein p24 | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4TWK
 | | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | | 著者 | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | | 登録日 | 2014-06-30 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
To Be Published
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4U2P
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4U07
 | | ATP bound to eukaryotic FIC domain containing protein | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | | 著者 | Cole, A.R, Bunney, T.D, Katan, M. | | 登録日 | 2014-07-11 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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4U0D
 | | Hexameric HIV-1 CA in complex with Nup153 peptide, P212121 crystal form | | 分子名称: | CHLORIDE ION, Gag polyprotein, Nuclear pore complex protein Nup153 | | 著者 | Price, A.J, Jacques, D.A, James, L.C. | | 登録日 | 2014-07-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Host Cofactors and Pharmacologic Ligands Share an Essential Interface in HIV-1 Capsid That Is Lost upon Disassembly.
Plos Pathog., 10, 2014
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4U0Z
 | | Eukaryotic Fic Domain containing protein with bound APCPP | | 分子名称: | Adenosine monophosphate-protein transferase FICD, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION | | 著者 | Cole, A.R, Bunney, T.D, Katan, M. | | 登録日 | 2014-07-14 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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4U1J
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GAG protein, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4U1N
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4TZR
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1561 | | 分子名称: | 1-{4-amino-3-[2-(cyclopropyloxy)quinolin-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | 著者 | Merritt, E.A. | | 登録日 | 2014-07-10 | | 公開日 | 2014-08-27 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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4U0S
 | | Structure of Eukaryotic fic domain containing protein with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | | 著者 | Cole, A.R, Katan, M, Bunney, T.D. | | 登録日 | 2014-07-14 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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4U44
 | | MAP4K4 in complex with inhibitor (compound 16) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | | 著者 | Harris, S.F, Wu, P, Coons, M. | | 登録日 | 2014-07-23 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
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4U1K
 | | HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2014-07-15 | | 公開日 | 2015-04-08 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A molecular switch in immunodominant HIV-1-specific CD8 T-cell epitopes shapes differential HLA-restricted escape.
Retrovirology, 12, 2015
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4UBH
 | | Resting state of rat cysteine dioxygenase Y157F variant | | 分子名称: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION, ... | | 著者 | Tchesnokov, E.P, Fellner, M, Jameson, G.N.L, Wilbanks, S.M. | | 登録日 | 2014-08-13 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Crystal structure of cysteine dioxygenase mutant
To be published
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4U2N
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4U2Q
 | | Full-length AMPA subtype ionotropic glutamate receptor GluA2 in complex with partial agonist kainate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2 | | 著者 | Duerr, K.L, Chen, L, Gouaux, E. | | 登録日 | 2014-07-17 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (3.5247 Å) | | 主引用文献 | Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Cell, 158, 2014
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4U47
 | | Octameric RNA duplex soaked in terbium(III)chloride | | 分子名称: | RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), TERBIUM(III) ION | | 著者 | Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O. | | 登録日 | 2014-07-23 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | | 主引用文献 | The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
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4UAP
 | | X-ray structure of GH31 CBM32-2 bound to GalNAc | | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | | 著者 | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | | 登録日 | 2014-08-11 | | 公開日 | 2015-10-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
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