2DCX
 
 | | NMR solution structure of the Dermaseptin antimicrobial peptide analog NC12-K4S4(1-13)a | | 分子名称: | 12-AMINO-DODECANOIC ACID, Dermaseptin-4 | | 著者 | Shalev, D.E, Rotem, S, Fish, A, Mor, A. | | 登録日 | 2006-01-17 | | 公開日 | 2006-02-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13)
J.Biol.Chem., 281, 2006
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4UZV
 | | Structure of a triple mutant of ASV-TfTrHb | | 分子名称: | ACETATE ION, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Baiocco, P, Bonamore, A, Sciamanna, N, Ilari, A, Boechi, L, Boffi, A, Smulevich, G, Feis, A. | | 登録日 | 2014-09-09 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy.
J.Phys.Chem.B, 118, 2014
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2Y2J
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA4) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
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2Y2H
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA2) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2Y2K
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol, 6, 2011
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2Y2P
 | | Penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (z10) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2Y2L
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2Y2M
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E08) | | 分子名称: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | | 著者 | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | | 登録日 | 2010-12-15 | | 公開日 | 2011-08-03 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa).
Acs Chem.Biol., 6, 2011
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2XPC
 | | Second-generation sulfonamide inhibitors of MurD: Activity optimisation with conformationally rigid analogues of D-glutamic acid | | 分子名称: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Sosic, I, Barreteau, H, Simcic, M, Sink, R, Cesar, J, Golic-Grdadolnik, S, Contreras-Martel, C, Dessen, A, Amoroso, A, Joris, B, Blanot, D, Gobec, S. | | 登録日 | 2010-08-26 | | 公開日 | 2011-05-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Second-Generation Sulfonamide Inhibitors of D- Glutamic Acid-Adding Enzyme: Activity Optimisation with Conformationally Rigid Analogues of D- Glutamic Acid.
Eur.J.Med.Chem, 46, 2011
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5KKG
 | | Crystal structure of E72A mutant of ancestral protein ancMT of ADP-dependent sugar kinases family | | 分子名称: | ADENOSINE MONOPHOSPHATE, GLYCEROL, IODIDE ION, ... | | 著者 | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | 登録日 | 2016-06-21 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.608 Å) | | 主引用文献 | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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4UWW
 | | Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell | | 分子名称: | STRUTHIOCALCIN-1 | | 著者 | Ruiz, R.R, Moreno, A, Romero, A. | | 登録日 | 2014-08-14 | | 公開日 | 2015-04-08 | | 最終更新日 | 2015-04-22 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
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7NP4
 | | cAMP-bound rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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7NP3
 | | cAMP-free rabbit HCN4 stabilized in LMNG-CHS detergent mixture | | 分子名称: | Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4,Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | 著者 | Giese, H.M, Chaves-Sanjuan, A, Saponaro, A, Clarke, O, Bolognesi, M, Mancia, F, Hendrickson, W.A, Thiel, G, Santoro, B, Moroni, A. | | 登録日 | 2021-02-26 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Gating movements and ion permeation in HCN4 pacemaker channels.
Mol.Cell, 81, 2021
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3W6G
 | | Structure of peroxiredoxin from anaerobic hyperthermophilic archaeon Pyrococcus horikoshii | | 分子名称: | CITRATE ANION, Probable peroxiredoxin | | 著者 | Nakamura, T, Mori, A, Niiyama, M, Matsumura, H, Tokuyama, C, Morita, J, Uegaki, K, Inoue, T. | | 登録日 | 2013-02-14 | | 公開日 | 2013-07-10 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structure of peroxiredoxin from the anaerobic hyperthermophilic archaeon Pyrococcus horikoshii
Acta Crystallogr.,Sect.F, 69, 2013
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5K27
 | | Crystal structure of ancestral protein ancMT of ADP-dependent sugar kinases family. | | 分子名称: | ADENOSINE MONOPHOSPHATE, IODIDE ION, ancMT | | 著者 | Castro-Fernandez, V, Herrera-Morande, A, Zamora, R, Merino, F, Pereira, H.M, Brandao-Neto, J, Garratt, R, Guixe, V. | | 登録日 | 2016-05-18 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Reconstructed ancestral enzymes reveal that negative selection drove the evolution of substrate specificity in ADP-dependent kinases.
J. Biol. Chem., 292, 2017
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8IJX
 | | Cryo-EM structure of the gastric proton pump with bound DQ-18 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.08 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8IJW
 | | Cryo-EM structure of the gastric proton pump with bound DQ-06 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8IJV
 | | Cryo-EM structure of the gastric proton pump with bound DQ-02 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[5-chloranyl-2-(4-chlorophenyl)phenyl]methoxy]-N-methyl-but-2-yn-1-amine, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-02-28 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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8JMN
 | | Cryo-EM structure of the gastric proton pump with bound DQ-21 | | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Abe, K, Yokoshima, S, Yoshimori, A. | | 登録日 | 2023-06-05 | | 公開日 | 2023-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (2.26 Å) | | 主引用文献 | Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
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4UXM
 | | Crystal Structure of Struthiocalcin-1, a different crystal form. | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, STRUTHIOCALCIN-1 | | 著者 | Ruiz-Arellano, R.R, Moreno, A, Romero, A. | | 登録日 | 2014-08-26 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
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7P35
 | | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | | 分子名称: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | 著者 | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | | 登録日 | 2021-07-07 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.256 Å) | | 主引用文献 | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7ZQW
 | | Structure of the SARS-CoV-1 main protease in complex with AG7404 | | 分子名称: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | 著者 | Muriel-Goni, S, Fabrega-Ferrer, M, Herrera-Morande, A, Coll, M. | | 登録日 | 2022-05-03 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7ZQV
 | | Structure of the SARS-CoV-2 main protease in complex with AG7404 | | 分子名称: | 3C-like proteinase nsp5, ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | | 著者 | Fabrega-Ferrer, M, Herrera-Morande, A, Perez-Saavedra, J, Coll, M. | | 登録日 | 2022-05-03 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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7Q1L
 | | Glycosilated Human Serum Apo-tranferrin | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Gavira, J.A, Moreno, A, Campos-Escamilla, C, Gonzalez-Ramirez, L.A, Siliqi, D. | | 登録日 | 2021-10-20 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin.
Int J Mol Sci, 22, 2021
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7A8U
 | | Crystal structure of sarcomeric protein FATZ-1 (d91-FATZ-1 construct) in complex with rod domain of alpha-actinin-2 | | 分子名称: | Alpha-actinin-2, Myozenin-1 | | 著者 | Sponga, A, Arolas, J.L, Rodriguez Chamorro, A, Mlynek, G, Hollerl, E, Schreiner, C, Pedron, M, Kostan, J, Ribeiro, E.A, Djinovic-Carugo, K. | | 登録日 | 2020-08-31 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.802 Å) | | 主引用文献 | Order from disorder in the sarcomere: FATZ forms a fuzzy but tight complex and phase-separated condensates with alpha-actinin.
Sci Adv, 7, 2021
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