8A01
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7ZZZ
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![BU of 7zzz by Molmil](/molmil-images/mine/7zzz) | Bacteriophage phiCjT23 capsid | 分子名称: | Major capsid protein P5, Spike protein P13 N-terminal, capsid internal domain, ... | 著者 | Rissanen, I, Kejzar, N, Huiskonen, J.T. | 登録日 | 2022-05-26 | 公開日 | 2022-12-14 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Cryo-EM structure of ssDNA bacteriophage Phi CjT23 provides insight into early virus evolution. Nat Commun, 13, 2022
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7ZZR
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![BU of 7zzr by Molmil](/molmil-images/mine/7zzr) | HDAC2 in complex with inhibitory ligand | 分子名称: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | 著者 | Cleasby, A, Tisi, D. | 登録日 | 2022-05-26 | 公開日 | 2022-09-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.168 Å) | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZP
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![BU of 7zzp by Molmil](/molmil-images/mine/7zzp) | Structure of HDAC2 complexed with an inhibitory ligand | 分子名称: | (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | 著者 | Cleasby, A, Tisi, D. | 登録日 | 2022-05-25 | 公開日 | 2022-09-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZO
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![BU of 7zzo by Molmil](/molmil-images/mine/7zzo) | HDAC2 in complex with an inhibitor | 分子名称: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cleasby, A, Tisi, D. | 登録日 | 2022-05-25 | 公開日 | 2022-09-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZK
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![BU of 7zzk by Molmil](/molmil-images/mine/7zzk) | Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum | 分子名称: | ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Boverio, A, Rozeboom, H.J, Fraaije, M.W. | 登録日 | 2022-05-25 | 公開日 | 2022-08-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase. Biochemistry, 62, 2023
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7ZZD
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![BU of 7zzd by Molmil](/molmil-images/mine/7zzd) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZC
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![BU of 7zzc by Molmil](/molmil-images/mine/7zzc) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylsulfonylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid, CITRIC ACID, GLYCEROL, ... | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZ9
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![BU of 7zz9 by Molmil](/molmil-images/mine/7zz9) | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative | 分子名称: | 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid, CITRIC ACID, NAD kinase 1 | 著者 | Gelin, M, Labesse, G. | 登録日 | 2022-05-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem., 246, 2023
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7ZZ8
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![BU of 7zz8 by Molmil](/molmil-images/mine/7zz8) | Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA and cyclic di-AMP | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ6
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![BU of 7zz6 by Molmil](/molmil-images/mine/7zz6) | Cryo-EM structure of "CT-CT dimer" of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, PYRUVIC ACID, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-12-28 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.15 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ5
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![BU of 7zz5 by Molmil](/molmil-images/mine/7zz5) | Cryo-EM structure of "BC open" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | ACETYL COENZYME *A, BICARBONATE ION, Pyruvate carboxylase | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.43 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ4
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![BU of 7zz4 by Molmil](/molmil-images/mine/7zz4) | Cryo-EM structure of "BC closed" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | ACETYL COENZYME *A, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.63 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ3
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![BU of 7zz3 by Molmil](/molmil-images/mine/7zz3) | Cryo-EM structure of "BC react" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ2
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![BU of 7zz2 by Molmil](/molmil-images/mine/7zz2) | Cryo-EM structure of "CT pyr" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, PYRUVIC ACID, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.48 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ1
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![BU of 7zz1 by Molmil](/molmil-images/mine/7zz1) | Cryo-EM structure of "CT react" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | BIOTIN, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.27 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZZ0
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![BU of 7zz0 by Molmil](/molmil-images/mine/7zz0) | Cryo-EM structure of "CT empty" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | MAGNESIUM ION, MANGANESE (II) ION, Pyruvate carboxylase | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.26 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZYZ
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![BU of 7zyz by Molmil](/molmil-images/mine/7zyz) | Cryo-EM structure of "CT oxa" conformation of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | MANGANESE (II) ION, OXALOACETATE ION, Pyruvate carboxylase | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZYY
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![BU of 7zyy by Molmil](/molmil-images/mine/7zyy) | Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA | 分子名称: | ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ... | 著者 | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.12 Å) | 主引用文献 | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7ZYX
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7ZYW
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![BU of 7zyw by Molmil](/molmil-images/mine/7zyw) | Crystal structure of T2R-TTL-PM534 complex | 分子名称: | (4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Oliva, M.A, Diaz, J.F, Cuevas, C. | 登録日 | 2022-05-25 | 公開日 | 2023-11-29 | 最終更新日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | PM534, an Optimized Target-Protein Interaction Strategy through the Colchicine Site of Tubulin. J.Med.Chem., 67, 2024
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7ZYT
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![BU of 7zyt by Molmil](/molmil-images/mine/7zyt) | Crystal structure of the I318T pathogenic variant of the human dihydrolipoamide dehydrogenase | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ... | 著者 | Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A. | 登録日 | 2022-05-25 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.892 Å) | 主引用文献 | Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase. Int J Mol Sci, 24, 2023
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7ZYR
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![BU of 7zyr by Molmil](/molmil-images/mine/7zyr) | Compound 20 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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7ZYP
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![BU of 7zyp by Molmil](/molmil-images/mine/7zyp) | Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7ZYO
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![BU of 7zyo by Molmil](/molmil-images/mine/7zyo) | Compound 9 Bound to CK2alpha | 分子名称: | 5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | 著者 | Brear, P, Hyvonen, M. | 登録日 | 2022-05-25 | 公開日 | 2022-10-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action. Rsc Med Chem, 13, 2022
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