8CXZ
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![BU of 8cxz by Molmil](/molmil-images/mine/8cxz) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(3-Phenylpropyl)adenosine (Compound 14) | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(3-phenylpropyl)adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXU
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![BU of 8cxu by Molmil](/molmil-images/mine/8cxu) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2 | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY2
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![BU of 8cy2 by Molmil](/molmil-images/mine/8cy2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CXW
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![BU of 8cxw by Molmil](/molmil-images/mine/8cxw) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4) | 分子名称: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | 著者 | Horton, J.R, Zhou, J, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY0
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![BU of 8cy0 by Molmil](/molmil-images/mine/8cy0) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178) | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY4
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![BU of 8cy4 by Molmil](/molmil-images/mine/8cy4) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2022-05-22 | 公開日 | 2023-01-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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7R1U
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![BU of 7r1u by Molmil](/molmil-images/mine/7r1u) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the WZ16 inhibitor | 分子名称: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | 登録日 | 2022-02-03 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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7R1T
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![BU of 7r1t by Molmil](/molmil-images/mine/7r1t) | Crystal structure of SARS-CoV-2 nsp10/nsp16 in complex with the SS148 inhibitor | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Klima, M, Boura, E, Li, F, Yazdi, A.K, Vedadi, M. | 登録日 | 2022-02-03 | 公開日 | 2022-06-29 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16. Protein Sci., 31, 2022
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8POB
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![BU of 8pob by Molmil](/molmil-images/mine/8pob) | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3 | 分子名称: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | 著者 | Alsalman, Z, Girard, E. | 登録日 | 2023-07-04 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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8PIW
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![BU of 8piw by Molmil](/molmil-images/mine/8piw) | Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-NMet2 | 分子名称: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | 著者 | Alsalman, Z, Girard, E. | 登録日 | 2023-06-22 | 公開日 | 2024-07-10 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | 分子名称: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-01-09 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | 分子名称: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | 著者 | Zhou, J, Horton, J.R, Cheng, X. | 登録日 | 2023-01-09 | 公開日 | 2023-05-10 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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6V2J
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![BU of 6v2j by Molmil](/molmil-images/mine/6v2j) | Crystal structure of ClC-ec1 triple mutant (E113Q, E148Q, E203Q) | 分子名称: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | 著者 | Maduke, M, Mathews, I.I, Chavan, T.S. | 登録日 | 2019-11-24 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the CLC Cl - /H + transport cycle. Elife, 9, 2020
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4ER5
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![BU of 4er5 by Molmil](/molmil-images/mine/4er5) | Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777 | 分子名称: | 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4EQZ
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![BU of 4eqz by Molmil](/molmil-images/mine/4eqz) | Crystal structure of human DOT1L in complex with inhibitor FED2 | 分子名称: | 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER0
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![BU of 4er0 by Molmil](/molmil-images/mine/4er0) | Crystal Structure of human DOT1L in complex with inhibitor FED1 | 分子名称: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER7
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![BU of 4er7 by Molmil](/molmil-images/mine/4er7) | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | 分子名称: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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7EQ2
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![BU of 7eq2 by Molmil](/molmil-images/mine/7eq2) | Crystal structure of GDP-bound Rab1a-T75D | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, COBALT HEXAMMINE(III), ... | 著者 | Cao, Y.L, Gu, D.D, Gao, S. | 登録日 | 2021-04-28 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.55090284 Å) | 主引用文献 | Aurora kinase A-mediated phosphorylation triggers structural alteration of Rab1A to enhance ER complexity during mitosis Nat.Struct.Mol.Biol., 2024
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4ER6
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![BU of 4er6 by Molmil](/molmil-images/mine/4er6) | Crystal structure of human DOT1L in complex with inhibitor SGC0946 | 分子名称: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, BROMIDE ION, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER3
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![BU of 4er3 by Molmil](/molmil-images/mine/4er3) | Crystal Structure of Human DOT1L in complex with inhibitor EPZ004777 | 分子名称: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-lysine N-methyltransferase, ... | 著者 | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2012-04-19 | 公開日 | 2012-05-16 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4BFO
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![BU of 4bfo by Molmil](/molmil-images/mine/4bfo) | Crystal Structure of the Starch-Binding Domain from Rhizopus oryzae Glucoamylase in Complex with isomaltotriose | 分子名称: | GLUCOAMYLASE, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose | 著者 | Chu, C.H, Li, K.M, Lin, S.W, Sun, Y.J. | 登録日 | 2013-03-21 | 公開日 | 2013-10-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.175 Å) | 主引用文献 | Crystal Structures of Starch Binding Domain from Rhizopus Oryzae Glucoamylase in Complex with Isomaltooligosaccharide: Insights Into Polysaccharide Binding Mechanism of Cbm21 Family. Proteins, 82, 2014
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7L4X
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![BU of 7l4x by Molmil](/molmil-images/mine/7l4x) | |
7L4Y
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![BU of 7l4y by Molmil](/molmil-images/mine/7l4y) | |
1M8R
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![BU of 1m8r by Molmil](/molmil-images/mine/1m8r) | Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4) | 分子名称: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2 | 著者 | Xu, S, Gu, L, Zhou, Y, Lin, Z. | 登録日 | 2002-07-25 | 公開日 | 2003-02-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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1M9U
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![BU of 1m9u by Molmil](/molmil-images/mine/1m9u) | |