4RCA
| Crystal structure of human PTPdelta and human Slitrk1 complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase delta, SLIT and NTRK-like protein 1, ... | 著者 | Kim, H.M, Park, B.S, Kim, D, Lee, S.G. | 登録日 | 2014-09-15 | 公開日 | 2014-11-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.9908 Å) | 主引用文献 | Structural basis for LAR-RPTP/Slitrk complex-mediated synaptic adhesion. Nat Commun, 5, 2014
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2XYD
| human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | 著者 | Akif, M, Schwager, S.L, Anthony, C.S, Czarny, B, Beau, F, Dive, V, Sturrock, E.D, Acharya, K.R. | 登録日 | 2010-11-17 | 公開日 | 2011-05-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Novel Mechanism of Inhibition of Human Angiotensin-I-Converting Enzyme (Ace) by a Highly Specific Phosphinic Tripeptide. Biochem.J., 436, 2011
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7K65
| Hedgehog receptor Patched (PTCH1) in complex with conformation selective nanobody TI23 | 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, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | 著者 | Zhang, Y, Bulkley, D.P, Liang, J, Manglik, A, Cheng, Y, Beachy, P.A. | 登録日 | 2020-09-18 | 公開日 | 2021-03-17 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Hedgehog pathway activation through nanobody-mediated conformational blockade of the Patched sterol conduit. Proc.Natl.Acad.Sci.USA, 117, 2020
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8OMD
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8UFG
| Acinetobacter baylyi LptB2FG bound to Acinetobacter baylyi lipopolysaccharide | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-2-[(2~{R},4~{R},5~{R},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4-[(2~{R},3~{R},4~{R},5~{S},6~{S})-3-acetamido-6-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-5-oxidanyl-oxan-2-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{S})-3-dodecanoyloxydodecanoyl]oxy-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-heptanoyloxyundecanoyl]amino]-3-oxidanyl-4-[(3~{R})-3-oxidanyloctanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-5-[[(3~{S})-3-[(3~{R})-3-oxidanyldecanoyl]oxydecanoyl]amino]-3-phosphonooxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxane-2-carboxylic acid, DODECYL-BETA-D-MALTOSIDE, LPS export ABC transporter permease LptG, ... | 著者 | Pahil, K.S, Gilman, M.S.A, Baidin, V, Kruse, A.C, Kahne, D. | 登録日 | 2023-10-04 | 公開日 | 2024-01-03 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | A new antibiotic traps lipopolysaccharide in its intermembrane transporter. Nature, 625, 2024
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7TH1
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B3 | 分子名称: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-10 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7THF
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B53 | 分子名称: | 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)pentanedioic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-10 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TGV
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2 | 分子名称: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-09 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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4ZAD
| Structure of C. dubliensis Fdc1 with the prenylated-flavin cofactor in the iminium form. | 分子名称: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Fdc1, MANGANESE (II) ION, ... | 著者 | Bailey, S.S, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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4ZAV
| UbiX in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | 分子名称: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, SODIUM ION, ... | 著者 | White, M.D, Leys, D. | 登録日 | 2015-04-14 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis. Nature, 522, 2015
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4ZA9
| Structure of A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor | 分子名称: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, MANGANESE (II) ION, POTASSIUM ION, ... | 著者 | Payne, K.A.P, Leys, D. | 登録日 | 2015-04-13 | 公開日 | 2015-06-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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7TGS
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | 分子名称: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-09 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TH7
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B23 | 分子名称: | 3-(4'-{[(4S,7S,11R,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,13,14,15,16,17,18,19,20,21,22-icosahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)propanoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-10 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7THD
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B52 | 分子名称: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, [(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)methyl]propanedioic acid | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-10 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TGU
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B1 | 分子名称: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-09 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7KHF
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7THC
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B25 | 分子名称: | 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)prop-2-ynoic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-10 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TGT
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor A26 | 分子名称: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | 著者 | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | 登録日 | 2022-01-09 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7EDH
| Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 3 | 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, Spike glycoprotein, ... | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D. | 登録日 | 2021-03-16 | 公開日 | 2021-09-01 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | 主引用文献 | Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function. Nat.Struct.Mol.Biol., 28, 2021
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4QRB
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7EDF
| Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 1 | 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, Spike glycoprotein, ... | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D. | 登録日 | 2021-03-16 | 公開日 | 2021-09-01 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function. Nat.Struct.Mol.Biol., 28, 2021
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6UT1
| CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH BNM-III-170 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ... | 著者 | Tolbert, W.D, Sherburn, R, Pazgier, M. | 登録日 | 2019-10-29 | 公開日 | 2020-10-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The HIV-1 Env gp120 Inner Domain Shapes the Phe43 Cavity and the CD4 Binding Site. Mbio, 11, 2020
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7EDG
| Cryo-EM structure of SARS-CoV-2 S-UK variant (B.1.1.7), one RBD-up conformation 2 | 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, Spike glycoprotein, ... | 著者 | Yang, T.J, Yu, P.Y, Chang, Y.C, Wu, H.C, Hsu, S.T.D. | 登録日 | 2021-03-16 | 公開日 | 2021-09-01 | 最終更新日 | 2022-01-05 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Effect of SARS-CoV-2 B.1.1.7 mutations on spike protein structure and function. Nat.Struct.Mol.Biol., 28, 2021
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5BN6
| Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose | 分子名称: | Jacalin, beta-D-galactopyranose | 著者 | Vieira Neto, A.E, Pereira, H.M, Moreno, F.B.M.B, Moreira, A.C.O.M, Lobo, M.D.P, Sousa, F.D, Grangeiro, T.B, Moreira, R.A. | 登録日 | 2015-05-25 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6499 Å) | 主引用文献 | Crystal Structure of Frutalin from Artocarpus incisa in complex with galactose To Be Published
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6S51
| The crystal structure of glycogen phosphorylase in complex with 10 | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | 著者 | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | 登録日 | 2019-06-29 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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