7SH7
 
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI87 | | 分子名称: | 3C-like proteinase nsp5, benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name) | | 著者 | Blankenship, L.R, Yang, K.S, Liu, W.R. | | 登録日 | 2021-10-08 | | 公開日 | 2023-04-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | An Azapeptide Platform in Conjunction with Covalent Warheads to Uncover High-Potency Inhibitors for SARS-CoV-2 Main Protease.
Biorxiv, 2023
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7S4U
 | | Cryo-EM structure of Cas9 in complex with 12-14MM DNA substrate, 5 minute time-point | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, Non-target strand, Target strand, ... | | 著者 | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.56 Å) | | 主引用文献 | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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7S4V
 | | Cas9 bound to 12-14MM DNA, 60 min time-point, kinked conformation | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, NTS, TS, ... | | 著者 | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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7S4X
 | | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | 著者 | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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3QTE
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5A34
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8FWM
 | | Structure of tail-neck junction of Agrobacterium phage Milano | | 分子名称: | Collar sheath protein, gp13, Tail sheath protein, ... | | 著者 | Sonani, R.R, Wang, F, Esteves, N.C, Kelly, R.J, Sebastian, A, Kreutzberger, M.A.B, Leiman, P.G, Scharf, B.E, Egelman, E.H. | | 登録日 | 2023-01-23 | | 公開日 | 2023-12-06 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | Neck and capsid architecture of the robust Agrobacterium phage Milano.
Commun Biol, 6, 2023
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1VLS
 | | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR | | 分子名称: | ASPARTATE RECEPTOR | | 著者 | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | | 登録日 | 1996-09-17 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
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1VLT
 | | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE | | 分子名称: | ASPARTATE RECEPTOR, ASPARTIC ACID | | 著者 | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | | 登録日 | 1996-09-17 | | 公開日 | 1997-05-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor.
J.Mol.Biol., 262, 1996
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2ZTD
 | | MtRuvA Form III | | 分子名称: | GLYCEROL, Holliday junction ATP-dependent DNA helicase ruvA | | 著者 | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | 登録日 | 2008-10-01 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability
Biochim.Biophys.Acta, 1794, 2009
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1X92
 | | CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA PHOSPHOHEPTOSE ISOMERASE IN COMPLEX WITH REACTION PRODUCT D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE | | 分子名称: | 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, PHOSPHOHEPTOSE ISOMERASE | | 著者 | Walker, J.R, Evdokimova, E, Kudritska, M, Joachimiak, A, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2004-08-19 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants.
J.Biol.Chem., 283, 2008
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7R53
 | | Crystal structure of human TLR8 in complex with Compound 15 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine, Toll-like receptor 8, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2022-02-10 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.121 Å) | | 主引用文献 | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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7R52
 | | Crystal structure of human TLR8 in complex with Compound 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-6-pyridin-4-yl-1~{H}-indole, Toll-like receptor 8, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2022-02-10 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.943 Å) | | 主引用文献 | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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7R54
 | | Crystal structure of human TLR8 in complex with Compound 4 | | 分子名称: | (5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | | 著者 | Faller, M, Zink, F. | | 登録日 | 2022-02-10 | | 公開日 | 2022-03-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.836 Å) | | 主引用文献 | Structure-Based Optimization of a Fragment-like TLR8 Binding Screening Hit to an In Vivo Efficacious TLR7/8 Antagonist.
Acs Med.Chem.Lett., 13, 2022
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2ZTE
 | | MtRuvA Form IV | | 分子名称: | Holliday junction ATP-dependent DNA helicase ruvA | | 著者 | Prabu, J.R, Thamotharan, S, Khanduja, J.S, Chandra, N.R, Muniyappa, K, Vijayan, M. | | 登録日 | 2008-10-01 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Crystallographic and modelling studies on Mycobacterium tuberculosis RuvA Additional role of RuvB-binding domain and inter species variability
Biochim.Biophys.Acta, 1794, 2009
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5AFW
 | | Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ... | | 著者 | Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R. | | 登録日 | 2015-01-26 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
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7R5B
 | | Crystal structure of BRD4(1) in complex with the inhibitor MPM2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ... | | 著者 | Huegle, M. | | 登録日 | 2022-02-10 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
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4YQM
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | | 著者 | Stuckey, J.A. | | 登録日 | 2015-03-13 | | 公開日 | 2016-10-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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4YJ4
 | | Crystal structure of Bcl-xL in complex with the BIM BH3 domain containing Ile155-to-Arg and Glu158-to-phosphoserine mutations | | 分子名称: | ACETATE ION, Bcl-2-like protein 1, BIM BH3 domain, ... | | 著者 | Ku, B, Ha, N.-C, Oh, B.-H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-07-29 | | 最終更新日 | 2017-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conversion of cell-survival activity of Akt into apoptotic death of cancer cells by two mutations on the BIM BH3 domain.
Cell Death Dis, 6, 2015
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5AWZ
 | | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.57 angstrom | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | | 著者 | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | | 登録日 | 2015-07-10 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum
Acta Crystallogr.,Sect.D, 71, 2015
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5B89
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5AX1
 | | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.80 angstrom | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | | 著者 | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | | 登録日 | 2015-07-10 | | 公開日 | 2015-08-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum
Acta Crystallogr.,Sect.D, 71, 2015
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6N5P
 | | Structure of Human pir-miRNA-340 Apical Loop and One-base-pair Fused to the YdaO Riboswitch Scaffold | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ... | | 著者 | Shoffner, G.M, Peng, Z, Guo, F. | | 登録日 | 2018-11-22 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.991 Å) | | 主引用文献 | Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography
To Be Published
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6N7Q
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4ZTC
 | | PglE Aminotransferase in complex with External Aldimine, Mutant K184A | | 分子名称: | Aminotransferase homolog, [(2R,3R,4R,5S,6R)-3-acetamido-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | 著者 | Riegert, A.S, Thoden, J.B, Young, N.M, Watson, D.C, Holden, H.M. | | 登録日 | 2015-05-14 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure of the external aldimine form of PglE, an aminotransferase required for N,N'-diacetylbacillosamine biosynthesis.
Protein Sci., 24, 2015
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