6TGD
 
 | | Crystal structure of NDM-1 in complex with triazole-based inhibitor OP31 | | 分子名称: | 4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione, CALCIUM ION, Metallo-beta-lactamase NDM-1, ... | | 著者 | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | 登録日 | 2019-11-15 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6TGJ
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6TGL
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6TIG
 | | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen | | 分子名称: | Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose | | 著者 | Varrot, A, Bermeo, R. | | 登録日 | 2019-11-22 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
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6TGT
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7D2V
 | | Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I. | | 登録日 | 2020-09-17 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
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6TGV
 | | Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN | | 分子名称: | 1,2-ETHANEDIOL, CYTIDINE-5'-TRIPHOSPHATE, Coenzyme A biosynthesis bifunctional protein CoaBC, ... | | 著者 | Mendes, V, Blaszczyk, M, Bryant, O, Cory-Wright, J, Blundell, T.L. | | 登録日 | 2019-11-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Inhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Nat Commun, 12, 2021
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6TJD
 | | Crystal structure of the computationally designed Cake4 protein | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cake4 | | 著者 | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | | 登録日 | 2019-11-26 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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6TJJ
 | | Structure of Cerezyme at pH 4.6 | | 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, ACETATE ION, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2019-11-26 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
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6TJB
 | | Crystal structure of the computationally designed Cake2 protein | | 分子名称: | Cake2, GLYCEROL | | 著者 | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | | 登録日 | 2019-11-26 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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6TJI
 | | Crystal structure of the computationally designed Cake10 protein | | 分子名称: | Cake10, PHOSPHATE ION | | 著者 | Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H. | | 登録日 | 2019-11-26 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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7DEU
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | 著者 | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | | 登録日 | 2020-11-05 | | 公開日 | 2021-03-31 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DL9
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6TKL
 | | Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | 著者 | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | 登録日 | 2019-11-28 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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7DDW
 | | Crystal structure of a mutant Staphylococcus equorum manganese superoxide dismutase S126C | | 分子名称: | MANGANESE (II) ION, Superoxide dismutase | | 著者 | Retnoningrum, D.S, Yoshida, H, Razani, M.D, Meidianto, V.F, Hartanto, A, Artarini, A, Ismaya, W.T. | | 登録日 | 2020-10-30 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | The role of S126 in the Staphylococcus equorum MnSOD activity and stability.
J.Struct.Biol., 213, 2021
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6TKI
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | | 著者 | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | 登録日 | 2019-11-28 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6TKU
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7DJ1
 | | Crystal structure of the G26C mutant of LeuT | | 分子名称: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION | | 著者 | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | 登録日 | 2020-11-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.528 Å) | | 主引用文献 | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DII
 | | Crystal structure of LeuT in lipidic cubic phase at pH 7 | | 分子名称: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION | | 著者 | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | 登録日 | 2020-11-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | | 主引用文献 | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DIX
 | | Crystal structure of LeuT in lipidic cubic phase at pH 5 | | 分子名称: | Na(+):neurotransmitter symporter (Snf family), SELENOMETHIONINE, SODIUM ION | | 著者 | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | 登録日 | 2020-11-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | | 主引用文献 | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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6TLT
 | | ROR(gamma)t ligand binding domain in complex with desmosterol and allosteric ligand Glenmark | | 分子名称: | 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid, GLYCEROL, Nuclear receptor ROR-gamma, ... | | 著者 | de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7DJ2
 | | Crystal structure of the G26C/E290S mutant of LeuT | | 分子名称: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | 著者 | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | 登録日 | 2020-11-19 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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7DJC
 | | Crystal structure of the G26C/Q250A mutant of LeuT | | 分子名称: | LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ... | | 著者 | Fan, J, Xiao, Y, Sun, Z, Zhou, X. | | 登録日 | 2020-11-20 | | 公開日 | 2021-04-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | | 主引用文献 | Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
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6TMP
 | | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | | 分子名称: | MAGNESIUM ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone, ... | | 著者 | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | | 登録日 | 2019-12-05 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | | 主引用文献 | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
Commun Chem, 2020
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6TO0
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