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6BVY
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SFTI-HFRW-4
分子名称: Trypsin inhibitor 1 HFRW-4
著者Schroeder, C.I, White, A.
登録日2017-12-14
公開日2018-04-18
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1.
J. Med. Chem., 61, 2018
6CB3
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Crystal structure of the L.Lactis YkoY riboswitch bound to cadmium
分子名称: BARIUM ION, CADMIUM ION, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Bachas, S, Ferre-D'amare, A.R.
登録日2018-02-01
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.891 Å)
主引用文献Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.
Cell Chem Biol, 25, 2018
6CC3
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Crystal structure of ykoY-mntP riboswitch chimera bound to cadmium
分子名称: CADMIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Bachas, S, Ferre-D'amare, A.R.
登録日2018-02-05
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Convergent Use of Heptacoordination for Cation Selectivity by RNA and Protein Metalloregulators.
Cell Chem Biol, 25, 2018
6CFL
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with lysyl-CAM and bound to protein Y (YfiA) at 2.6A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
登録日2018-02-15
公開日2018-03-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
6CFK
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with D-histidyl-CAM and bound to protein Y (YfiA) at 2.7A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
登録日2018-02-15
公開日2018-03-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018
6C3Z
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T477A SiRHP
分子名称: IRON/SULFUR CLUSTER, PHOSPHATE ION, POTASSIUM ION, ...
著者Stroupe, M.E.
登録日2018-01-11
公開日2018-06-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献The role of extended Fe4S4cluster ligands in mediating sulfite reductase hemoprotein activity.
Biochim. Biophys. Acta, 1866, 2018
6C1J
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Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol
分子名称: 3,4-dinitrophenol, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Pinney, M.M, Herschlag, D.
登録日2018-01-04
公開日2018-07-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.063 Å)
主引用文献Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein.
J. Am. Chem. Soc., 140, 2018
6CMH
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SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST
分子名称: PROTEIN (ENDOTHELIN-1)
著者Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H.
登録日1998-09-03
公開日1999-09-29
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
6CQ5
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TBK1 in Complex with Sulfone Analog of Amlexanox
分子名称: 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.354 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
6D0D
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X-ray crystal structure of wild type HIV-1 protease in complex with GRL-087-13
分子名称: (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease
著者Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H.
登録日2018-04-10
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications.
Antimicrob.Agents Chemother., 63, 2019
7LC2
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BU of 7lc2 by Molmil
Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dharmaiah, S, Simanshu, D.K.
登録日2021-01-09
公開日2021-07-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LC1
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Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1
分子名称: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dharmaiah, S, Simanshu, D.K.
登録日2021-01-09
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LYS
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BU of 7lys by Molmil
Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and DNA
分子名称: CasPhi-2, NTS-DNA, TS-DNA, ...
著者Pausch, P, Soczek, K, Nogales, E, Doudna, J.
登録日2021-03-08
公開日2021-08-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
7LYT
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Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and Phosphorothioate-DNA
分子名称: CasPhi, MAGNESIUM ION, NTS-DNA*, ...
著者Pausch, P, Soczek, K, Nogales, E, Doudna, J.
登録日2021-03-08
公開日2021-08-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
6CQ4
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TBK1 in Complex with Cyclohexyl Analog of Amlexanox
分子名称: 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1
著者Beyett, T.S, Tesmer, J.J.G.
登録日2018-03-14
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity.
Bioorg. Med. Chem., 26, 2018
7LY9
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Cryo-EM structure of 2909 Fab in complex with 3BNC117 Fab and CAP256.wk34.c80 SOSIP.RnS2 N160K HIV-1 Env trimer
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, 2909 Heavy Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2021-03-06
公開日2021-08-18
最終更新日2021-11-24
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Extended antibody-framework-to-antigen distance observed exclusively with broad HIV-1-neutralizing antibodies recognizing glycan-dense surfaces.
Nat Commun, 12, 2021
6BI8
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X-ray structure of MERS coronavirus papain-like protease in complex with human ISG15
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, GLYCEROL, ...
著者Clasman, J.C, Mesecar, A.D.
登録日2017-11-01
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献Decoupling deISGylating and deubiquitinating activities of the MERS virus papain-like protease.
Antiviral Res., 174, 2020
7KE5
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BU of 7ke5 by Molmil
Heavy chain ferritin with N-terminal EBNA1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Epstein-Barr nuclear antigen 1,Ferritin heavy chain, FE (III) ION
著者Pederick, J.P, Bruning, J.B.
登録日2020-10-10
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
7KE3
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Heavy chain ferritin with C-terminal EBNA1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, Ferritin heavy chain,Epstein-Barr nuclear antigen 1
著者Pederick, J.L, Bruning, J.B.
登録日2020-10-10
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Immunogenicity study of engineered ferritins with C- and N-terminus insertion of Epstein-Barr nuclear antigen 1 epitope.
Vaccine, 39, 2021
6CDF
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BU of 6cdf by Molmil
Human CtBP1 (28-378)
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, CALCIUM ION, ...
著者Royer, W.E, Bellesis, A.G.
登録日2018-02-08
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
6CDR
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BU of 6cdr by Molmil
Human CtBP1 (28-378)
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ...
著者Royer, W.E, Bellesis, A.G.
登録日2018-02-09
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Assembly of human C-terminal binding protein (CtBP) into tetramers.
J. Biol. Chem., 293, 2018
7JNV
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Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7JNZ
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Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Andring, J.T, McKenna, R.
登録日2020-08-05
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
7K40
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form)
著者Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
登録日2020-09-14
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
6CFJ
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Crystal structure of the Thermus thermophilus 70S ribosome in complex with histidyl-CAM and bound to mRNA and A-, P-, and E-site tRNAs at 2.8A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ...
著者Tereshchenkov, A.G, Dobosz-Bartoszek, M, Osterman, I.A, Marks, J, Sergeeva, V.A, Kasatsky, P, Komarova, E.S, Stavrianidi, A.N, Rodin, I.A, Konevega, A.L, Sergiev, P.V, Sumbatyan, N.V, Mankin, A.S, Bogdanov, A.A, Polikanov, Y.S.
登録日2018-02-15
公開日2018-03-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding and Action of Amino Acid Analogs of Chloramphenicol upon the Bacterial Ribosome.
J. Mol. Biol., 430, 2018

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件を2024-07-17に公開中

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