6TO7
 
 | | Crystal structure of the Orexin-1 receptor in complex with suvorexant at 2.29 A resolution | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-11 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TPJ
 | | Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution | | 分子名称: | AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TQ7
 | | Crystal structure of the Orexin-1 receptor in complex with SB-334867 | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea, Orexin receptor type 1, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-16 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6636 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TMI
 | | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, peripheral stalk model | | 分子名称: | ATP synthase subunit alpha, ATPTG12, Oligomycin sensitivity conferring protein (OSCP), ... | | 著者 | Muhleip, A, Kock Flygaard, R, Amunts, A. | | 登録日 | 2019-12-04 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
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6TT0
 | | Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | | 分子名称: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | | 登録日 | 2019-12-22 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.80003023 Å) | | 主引用文献 | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Acs Med.Chem.Lett., 11, 2020
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5F9Q
 | | Crystal structure of the extracellular domain of noncanonic ABC-type transporter YknZ from Gram-positive bacteria | | 分子名称: | Macrolide export ATP-binding/permease protein YknZ | | 著者 | Xu, Y, Guo, J, Jiang, R, Jin, X, Fan, S, Quan, C.S, Ha, N.C. | | 登録日 | 2015-12-10 | | 公開日 | 2016-02-03 | | 最終更新日 | 2016-09-14 | | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | | 主引用文献 | The Crystal Structure of the YknZ Extracellular Domain of ABC Transporter YknWXYZ from Bacillus amyloliquefaciens.
Plos One, 11, 2016
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6TOT
 | | Crystal structure of the Orexin-1 receptor in complex with lemborexant | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 1, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-11 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TMG
 | | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ... | | 著者 | Muhleip, A, Kock Flygaard, R, Amunts, A. | | 登録日 | 2019-12-04 | | 公開日 | 2020-12-16 | | 最終更新日 | 2021-01-20 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
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5FAJ
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5FQC
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with 2C | | 分子名称: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, BETA-LACTAMASE, DIMETHYL SULFOXIDE, ... | | 著者 | Brem, J, Cain, R, McDonough, M.A, Clifton, I.J, Fishwick, C.W.G, Schofield, C.J. | | 登録日 | 2015-12-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.449 Å) | | 主引用文献 | Structural basis of metallo-beta-lactamase, serine-beta-lactamase and penicillin-binding protein inhibition by cyclic boronates.
Nat Commun, 7, 2016
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6TP3
 | | Crystal structure of the Orexin-1 receptor in complex with daridorexant | | 分子名称: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Orexin receptor type 1, SULFATE ION, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-12 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6TPF
 | | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | | 分子名称: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-07-22 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
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5FCD
 | | Crystal structure of MccD protein | | 分子名称: | CHLORIDE ION, MccD, UNK-UNK-UNK-MSE-UNK, ... | | 著者 | Nocek, B, Jedrzejczak, R, Anderson, W.F, Severinov, K, Dubiley, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2015-12-15 | | 公開日 | 2015-12-30 | | 最終更新日 | 2017-02-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of MccD protein.
To Be Published
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6TQB
 | | X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A. | | 登録日 | 2019-12-16 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
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2Z8E
 | | The galacto-N-biose-/lacto-N-biose I-binding protein (GL-BP) of the ABC transporter from Bifidobacterium longum in complex with galacto-N-biose | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Galacto-N-biose/lacto-N-biose I transporter substrate-binding protein, ZINC ION, ... | | 著者 | Suzuki, R, Wada, J, Katayama, T, Fushinobu, S. | | 登録日 | 2007-09-05 | | 公開日 | 2008-03-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structural and thermodynamic analyses of solute-binding Protein from Bifidobacterium longum specific for core 1 disaccharide and lacto-N-biose I.
J.Biol.Chem., 283, 2008
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6TSV
 | | Tail of empty GTA particle computed with helical refinement, C6 symmetry | | 分子名称: | Tail tube protein Rcc01691 | | 著者 | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | 登録日 | 2019-12-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | | 主引用文献 | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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6TTS
 | | Crystal structure of the GGDEF domain of DgcB from Caulobacter crescentus in complex with c-di-GMP | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), GGDEF diguanylate cyclase DgcB, SULFATE ION | | 著者 | Holzschuh, F, Schirmer, T, Teixeira, R. | | 登録日 | 2019-12-30 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the GGDEF domain of DgcB from Caulobacter crescentus in complex with c-di-GMP
To Be Published
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6TTZ
 | | Structure of the ClpP:ADEP4-complex from Staphylococcus aureus (open state) | | 分子名称: | ATP-dependent Clp protease proteolytic subunit, N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide | | 著者 | Malik, I.T, Pereira, R, Vielberg, M.-T, Mayer, C, Straetener, J, Thomy, D, Famulla, K, Castro, H.C, Sass, P, Groll, M, Broetz-Oesterheldt, H. | | 登録日 | 2019-12-30 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Functional Characterisation of ClpP Mutations Conferring Resistance to Acyldepsipeptide Antibiotics in Firmicutes.
Chembiochem, 21, 2020
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6TRQ
 | | S.c. Scavenger Decapping Enzyme DcpS in complex with the capped RNA dinucleotide m7G-GU | | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, L-GUANOSINE-5'-MONOPHOSPHATE, PHOSPHONATE, ... | | 著者 | Fuchs, A.-L, Neu, A, Sprangers, R. | | 登録日 | 2019-12-19 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.944 Å) | | 主引用文献 | Molecular basis of the selective processing of short mRNA substrates by the DcpS mRNA decapping enzyme.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5FNF
 | | Dynamic Undocking and the Quasi-Bound State as tools for Drug Design | | 分子名称: | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol, HEAT SHOCK PROTEIN, HSP90-ALPHA, ... | | 著者 | Ruiz-Carmona, S, Schmidtke, P, Luque, F.J, Baker, L.M, Matassova, N, Davis, B, Roughley, S, Murray, J, Hubbard, R, Barril, X. | | 登録日 | 2015-11-13 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Dynamic undocking and the quasi-bound state as tools for drug discovery.
Nat Chem, 9, 2017
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6TSW
 | | Isometric capsid of empty GTA particle computed with I4(I,n25r) symmetry | | 分子名称: | Major capsid protein Rcc01687 | | 著者 | Bardy, P, Fuzik, T, Hrebik, D, Pantucek, R, Beatty, J.T, Plevka, P. | | 登録日 | 2019-12-21 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (4.03 Å) | | 主引用文献 | Structure and mechanism of DNA delivery of a gene transfer agent.
Nat Commun, 11, 2020
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5FBR
 | | PI4KB in complex with Rab11 and the MI359 Inhibitor | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta, Ras-related protein Rab-11A, ... | | 著者 | Chalupska, D, Mejdrova, I, Nencka, R, Boura, E. | | 登録日 | 2015-12-14 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.28 Å) | | 主引用文献 | PI4KB in complex with Rab11 and the MI359 Inhibitor
To Be Published
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6SSI
 | | Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | | 著者 | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | | 登録日 | 2019-09-07 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site.
Elife, 9, 2020
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5FL4
 | | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | | 分子名称: | 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE 9, ... | | 著者 | Leitans, J, Tars, K, Zalubovskis, R. | | 登録日 | 2015-10-21 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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6SU3
 | | Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 48C12 heliorhodopsin, EICOSANE, ... | | 著者 | Kovalev, K, Volkov, D, Astashkin, R, Alekseev, A, Gushchin, I, Gordeliy, V. | | 登録日 | 2019-09-12 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High-resolution structural insights into the heliorhodopsin family.
Proc.Natl.Acad.Sci.USA, 117, 2020
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