5TZX
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![BU of 5tzx by Molmil](/molmil-images/mine/5tzx) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3-chloro-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | (3-chloro-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-22 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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5UP0
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![BU of 5up0 by Molmil](/molmil-images/mine/5up0) | Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | 分子名称: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | 著者 | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | 登録日 | 2017-02-01 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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2OBE
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![BU of 2obe by Molmil](/molmil-images/mine/2obe) | Crystal Structure of Chimpanzee Adenovirus (Type 68/Simian 25) Major Coat Protein Hexon | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIHYDROGENPHOSPHATE ION, Hexon protein | 著者 | Xue, F, Rux, J.J, Burnett, R.M. | 登録日 | 2006-12-18 | 公開日 | 2007-07-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based identification of a major neutralizing site in an adenovirus hexon J.Virol., 81, 2007
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5TZC
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![BU of 5tzc by Molmil](/molmil-images/mine/5tzc) | Crystal Structure of human PDE2a in complex with (5S)-1-[(3-bromo-4-fluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | (3-bromo-4-fluorophenyl)[(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone, MAGNESIUM ION, ZINC ION, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-21 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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5TZH
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![BU of 5tzh by Molmil](/molmil-images/mine/5tzh) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-21 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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5TZW
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![BU of 5tzw by Molmil](/molmil-images/mine/5tzw) | CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine | 分子名称: | MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone, ... | 著者 | Xu, R, Aertgeerts, K. | 登録日 | 2016-11-22 | 公開日 | 2017-02-22 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders. J. Med. Chem., 60, 2017
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2QC3
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![BU of 2qc3 by Molmil](/molmil-images/mine/2qc3) | Crystal structure of MCAT from Mycobacterium tuberculosis | 分子名称: | ACETIC ACID, Malonyl CoA-acyl carrier protein transacylase | 著者 | Li, Z, Huang, Y, Ge, J, Bartlam, M, Wang, H, Rao, Z. | 登録日 | 2007-06-19 | 公開日 | 2007-08-28 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Crystal Structure of MCAT from Mycobacterium tuberculosis Reveals Three New Catalytic Models. J.Mol.Biol., 371, 2007
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6CRL
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![BU of 6crl by Molmil](/molmil-images/mine/6crl) | HusA haemophore from Porphyromonas gingivalis | 分子名称: | hypothetical protein PG_2227 | 著者 | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | 登録日 | 2018-03-19 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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6BQS
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![BU of 6bqs by Molmil](/molmil-images/mine/6bqs) | HusA haemophore from Porphyromonas gingivalis | 分子名称: | hypothetical protein PG_2227 | 著者 | Gell, D.A, Kwan, A.H, Horne, J, Hugrass, B.M, Collins, D.A.T. | 登録日 | 2017-11-28 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural properties of a haemophore facilitate targeted elimination of the pathogen Porphyromonas gingivalis. Nat Commun, 9, 2018
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6MO5
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![BU of 6mo5 by Molmil](/molmil-images/mine/6mo5) | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | 分子名称: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | 著者 | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOO
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![BU of 6moo by Molmil](/molmil-images/mine/6moo) | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | 分子名称: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MO4
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![BU of 6mo4 by Molmil](/molmil-images/mine/6mo4) | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | 分子名称: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | 著者 | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.844 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
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![BU of 6mod by Molmil](/molmil-images/mine/6mod) | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | 分子名称: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | 著者 | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | 登録日 | 2018-10-04 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MZP
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![BU of 6mzp by Molmil](/molmil-images/mine/6mzp) | |
8KHU
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![BU of 8khu by Molmil](/molmil-images/mine/8khu) | Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48 | 分子名称: | (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ... | 著者 | Zhou, Z, Xu, Z.H. | 登録日 | 2023-08-22 | 公開日 | 2023-10-25 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus. J.Med.Chem., 66, 2023
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6MZN
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8JO3
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![BU of 8jo3 by Molmil](/molmil-images/mine/8jo3) | Cryo-EM structure of a Legionella effector complexed with actin and AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (2.66 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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8JO4
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![BU of 8jo4 by Molmil](/molmil-images/mine/8jo4) | Cryo-EM structure of a Legionella effector complexed with actin and ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | 登録日 | 2023-06-07 | 公開日 | 2024-05-01 | 最終更新日 | 2024-07-03 | 実験手法 | ELECTRON MICROSCOPY (3.04 Å) | 主引用文献 | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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3UEY
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![BU of 3uey by Molmil](/molmil-images/mine/3uey) | |
3UGD
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![BU of 3ugd by Molmil](/molmil-images/mine/3ugd) | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, Protein kinase C delta type, ... | 著者 | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | 登録日 | 2011-11-02 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta Biophys.J., 103, 2012
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3UEJ
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3UGL
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![BU of 3ugl by Molmil](/molmil-images/mine/3ugl) | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | 分子名称: | PHOSPHATE ION, Proteine kinase C delta type, ZINC ION, ... | 著者 | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | 登録日 | 2011-11-02 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.357 Å) | 主引用文献 | Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta Biophys.J., 103, 2012
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3UFF
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![BU of 3uff by Molmil](/molmil-images/mine/3uff) | |
3UGI
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![BU of 3ugi by Molmil](/molmil-images/mine/3ugi) | Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta | 分子名称: | (methoxymethyl)cyclopropane, PHOSPHATE ION, Protein kinase C delta type, ... | 著者 | Shanmugasundararaj, S, Stehle, T, Miller, K.W. | 登録日 | 2011-11-02 | 公開日 | 2012-12-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.361 Å) | 主引用文献 | Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta Biophys.J., 103, 2012
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3VK6
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![BU of 3vk6 by Molmil](/molmil-images/mine/3vk6) | |