8YMK
| Localized reconstruction of Hepatitis B virus surface antigen dimer in the subviral particle with D2 symmetry from dataset A0 | 分子名称: | Isoform S of Large envelope protein | 著者 | Wang, T, Cao, L, Mu, A, Wang, Q, Rao, Z.H. | 登録日 | 2024-03-09 | 公開日 | 2024-09-18 | 最終更新日 | 2024-09-25 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Inherent symmetry and flexibility in hepatitis B virus subviral particles. Science, 385, 2024
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9EUO
| Outward-open structure of Drosophila dopamine transporter bound to an atypical non-competitive inhibitor | 分子名称: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | 著者 | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | 登録日 | 2024-03-27 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9C1W
| Structure of AKT2 with compound 3 | 分子名称: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | 著者 | Craven, G.B, Ma, X, Taunton, J. | 登録日 | 2024-05-29 | 公開日 | 2024-09-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation To Be Published
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7ORB
| Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-06-04 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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6W5Y
| Inferred receptor binding domain of human endogenous retrovirus envelope EnvP(b)1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, EnvP(b)1 inferred receptor binding domain, ... | 著者 | McCarthy, K.R. | 登録日 | 2020-03-14 | 公開日 | 2020-11-11 | 最終更新日 | 2021-05-26 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of the Receptor Binding Domain of EnvP(b)1, an Endogenous Retroviral Envelope Protein Expressed in Human Tissues. Mbio, 11, 2020
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6MPG
| Cryo-EM structure at 3.2 A resolution of HIV-1 fusion peptide-directed antibody, A12V163-b.01, elicited by vaccination of Rhesus macaques, in complex with stabilized HIV-1 Env BG505 DS-SOSIP, which was also bound to antibodies VRC03 and PGT122 | 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, A12V163-b.01 Heavy Chain, ... | 著者 | Acharya, P, Kwong, P.D. | 登録日 | 2018-10-06 | 公開日 | 2019-07-24 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
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7OR9
| Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-06-04 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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7ORA
| Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ... | 著者 | Zhou, D, Ren, J, Stuart, D.I. | 登録日 | 2021-06-04 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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6OT1
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6VYN
| N-terminal domain of mouse surfactant protein B with bound lipid, wild type | 分子名称: | (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate, Pulmonary surfactant-associated protein B | 著者 | Rapoport, T.A, Bodnar, N.O. | 登録日 | 2020-02-27 | 公開日 | 2020-11-25 | 最終更新日 | 2021-01-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Mechanism of Lamellar Body Formation by Lung Surfactant Protein B. Mol.Cell, 81, 2021
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6VZ0
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6WH4
| Crystal structure of HTR2A with inverse agonist | 分子名称: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | 著者 | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | 登録日 | 2020-04-07 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor Cell(Cambridge,Mass.), 182, 2020
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6NZ7
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6WIV
| Structure of human GABA(B) receptor in an inactive state | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | 登録日 | 2020-04-10 | 公開日 | 2020-07-01 | 最終更新日 | 2020-08-26 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structure of human GABABreceptor in an inactive state. Nature, 584, 2020
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7PV8
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7PH1
| Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Dimos, N, Leppkes, J, Koksch, B, Loll, B. | 登録日 | 2021-08-16 | 公開日 | 2022-03-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment. J.Phys.Chem.B, 126, 2022
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6N16
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6WY5
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | 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, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | 著者 | Khan, J.A. | 登録日 | 2020-05-12 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.898 Å) | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WY0
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | 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, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | 著者 | Khan, J.A. | 登録日 | 2020-05-12 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.799 Å) | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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5XZ0
| Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A | 分子名称: | Staphylococcal enterotoxin B | 著者 | Jeong, W.H, Song, D.H, Hur, G.H, Jeong, S.T. | 登録日 | 2017-07-11 | 公開日 | 2017-11-01 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | Structure of the staphylococcal enterotoxin B vaccine candidate S19 showing eliminated superantigen activity Acta Crystallogr F Struct Biol Commun, 73, 2017
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7P4F
| Crystal Structure of Monoamine Oxidase B in complex with inhibitor 1 | 分子名称: | 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Iacovino, L.G, Binda, C, Pisani, L. | 登録日 | 2021-07-11 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
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7P4H
| Crystal Structure of Monoamine Oxidase B in complex with inhibitor (+)-2 | 分子名称: | 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Iacovino, L.G, Binda, C, Pisani, L. | 登録日 | 2021-07-11 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Dual Reversible Coumarin Inhibitors Mutually Bound to Monoamine Oxidase B and Acetylcholinesterase Crystal Structures. Acs Med.Chem.Lett., 13, 2022
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6WY7
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | 著者 | Khan, J.A. | 登録日 | 2020-05-12 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.089 Å) | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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6WXZ
| CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | 著者 | Khan, J.A. | 登録日 | 2020-05-12 | 公開日 | 2020-10-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.226 Å) | 主引用文献 | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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8C7Y
| Crystal structure of BRAF V600E in complex with a hybrid compound 6 | 分子名称: | 1,2-ETHANEDIOL, NITRATE ION, Serine/threonine-protein kinase B-raf, ... | 著者 | Chaikuad, A, Bonnet, P, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-01-17 | 公開日 | 2023-02-22 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor. Eur.J.Med.Chem., 250, 2023
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