PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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7RGG	Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES 分子名称: Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) 著者 Milano, S.K, Finke, A, Cerione, R.A. 登録日 2021-07-15 公開日 2022-05-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
7R3Q	Crystal structure of CTX-M-15 G238C/A240 insert mutant apoenzyme 分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION 著者 Tooke, C.L, Hinchliffe, P, Spencer, J. 登録日 2022-02-07 公開日 2022-05-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 13, 2022
7REN	Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial 著者 Milano, S.K, Finke, A, Cerione, R.A. 登録日 2021-07-13 公開日 2022-05-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
7Q47	Endolysin from bacteriophage Enc34, catalytic domain 分子名称: CHLORIDE ION, Endolysin, SODIUM ION 著者 Cernooka, E, Rumnieks, J, Kazaks, A, Tars, K. 登録日 2021-10-29 公開日 2021-11-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Diversity of the lysozyme fold: structure of the catalytic domain from an unusual endolysin encoded by phage Enc34. Sci Rep, 12, 2022
7R5Q	Escherichia coli type II Asparaginase N24S mutant in complex with GLU 分子名称: GLUTAMIC ACID, L-asparaginase 2 著者 Maggi, M, Scotti, C. 登録日 2022-02-11 公開日 2022-09-07 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Aspects of E. coli Type II Asparaginase in Complex with Its Secondary Product L-Glutamate. Int J Mol Sci, 23, 2022
7R6A	Crystal structure of mutant L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis 分子名称: FORMIC ACID, L-asparaginase I 著者 Strzelczyk, P, Wlodawer, A, Lubkowski, J. 登録日 2021-06-22 公開日 2022-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 The dimeric form of bacterial l-asparaginase YpAI is fully active. Febs J., 290, 2023
7R69	Crystal structure of mutant R43D/C273S of L-Asparaginase I from Yersinia pestis 分子名称: 1,2-ETHANEDIOL, L-asparaginase I 著者 Strzelczyk, P, Wlodawer, A, Lubkowski, J. 登録日 2021-06-22 公開日 2022-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The dimeric form of bacterial l-asparaginase YpAI is fully active. Febs J., 290, 2023
7R57	Escherichia coli type II Asparaginase N24S mutant in its apo form 分子名称: L-asparaginase 2 著者 Maggi, M, Scotti, C. 登録日 2022-02-10 公開日 2022-09-14 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structural Aspects of E. coli Type II Asparaginase in Complex with Its Secondary Product L-Glutamate. Int J Mol Sci, 23, 2022
7R6B	Crystal structure of mutant R43D/L124D/R125A/C273S of L-Asparaginase I from Yersinia pestis 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, L-asparaginase I 著者 Strzelczyk, P, Wlodawer, A, Lubkowski, J. 登録日 2021-06-22 公開日 2022-07-06 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 The dimeric form of bacterial l-asparaginase YpAI is fully active. Febs J., 290, 2023
7RGX	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside 著者 Bum-Erdene, K, Kishor, C, Blanchard, H. 登録日 2021-07-15 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RGY	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-15 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.337 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RH0	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-trifluoromethyl-benzoyl)-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.487 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RGZ	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.485 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RH1	Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.444 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RH3	Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7RH4	Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside 分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside 著者 Collins, P.M, Kishor, C, Blanchard, H. 登録日 2021-07-16 公開日 2022-07-13 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.201 Å) 主引用文献 Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia. J.Med.Chem., 65, 2022
7ROX	BthTX-I complexed with inhibitor MMV 分子名称: 12-methoxy-Nb-methylvoachalotine, Basic phospholipase A2 homolog bothropstoxin-I 著者 Borges, R.J, De Marino, I, Uson, I, Fontes, M.R.M. 登録日 2021-08-02 公開日 2022-11-09 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural and functional studies of a snake venom phospholipase A 2 -like protein complexed to an inhibitor from Tabernaemontana catharinensis. Biochimie, 206, 2023
7R1I	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... 著者 Snee, M, Katariya, M, Levy, C, Leys, D. 登録日 2022-02-03 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7R3U	Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor 分子名称: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Snee, M, Katariya, M, Leys, D, Levy, C. 登録日 2022-02-07 公開日 2023-02-22 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
7RIG	Structure of ACLY-D1026A-substrates 分子名称: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ... 著者 Wei, X, Marmorstein, R. 登録日 2021-07-19 公開日 2023-05-10 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 Allosteric role of the citrate synthase homology domain of ATP citrate lyase. Nat Commun, 14, 2023
7RKZ	Structure of ACLY D1026A-substrates-asym-int 分子名称: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ... 著者 Wei, X, Marmorstein, R. 登録日 2021-07-22 公開日 2023-05-10 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Allosteric role of the citrate synthase homology domain of ATP citrate lyase. Nat Commun, 14, 2023
7RMP	Structure of ACLY D1026A - substrates-asym 分子名称: (3S)-citryl-Coenzyme A, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ... 著者 Wei, X, Marmorstein, R. 登録日 2021-07-28 公開日 2023-05-10 最終更新日 2024-06-05 実験手法 ELECTRON MICROSCOPY (2.7 Å) 主引用文献 Allosteric role of the citrate synthase homology domain of ATP citrate lyase. Nat Commun, 14, 2023
3NOF	Mycobacterium tuberculosis thioredoxin C C40S mutant 分子名称: THIOCYANATE ION, Thioredoxin TrxC 著者 Hall, G, Emsley, J. 登録日 2010-06-25 公開日 2010-11-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464 Protein Sci., 20, 2011
3O6T	Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464 分子名称: 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one, TRIETHYLENE GLYCOL, Thioredoxin 著者 Hall, G, Emsley, J. 登録日 2010-07-29 公開日 2010-11-10 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464 Protein Sci., 20, 2011
4C7U	Crystal structure of manganese superoxide dismutase from Arabidopsis thaliana 分子名称: MANGANESE (II) ION, SUPEROXIDE DISMUTASE [MN] 1, MITOCHONDRIAL 著者 Marques, A, Santos, S.P, Rosa, M, Carrondo, M.A, Abreu, I.A, Romao, C.V, Frazao, C. 登録日 2013-09-25 公開日 2014-10-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 Crystal Structure of the Arabidopsis Thaliana Manganese Superoxide Dismutase at 1.95 A Resolution To be Published

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