5H8Q
 
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE8324 | | 分子名称: | 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one, ACETATE ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2015-12-23 | | 公開日 | 2016-02-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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5H8N
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5H8H
 | | Structure of the human GluN1/GluN2A LBD in complex with GNE3419 | | 分子名称: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, CALCIUM ION, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2015-12-23 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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5H8F
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5H8S
 | | Structure of the human GluA2 LBD in complex with GNE3419 | | 分子名称: | 7-[[ethyl(phenyl)amino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, CACODYLATE ION, GLUTAMIC ACID, ... | | 著者 | Wallweber, H.J.A, Lupardus, P.J. | | 登録日 | 2015-12-23 | | 公開日 | 2016-02-24 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.703 Å) | | 主引用文献 | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function.
Neuron, 89, 2016
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3NDM
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4HIS
 | | The Structure of V122I Mutant Transthyretin in Complex with Tafamidis | | 分子名称: | 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin | | 著者 | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | 登録日 | 2012-10-11 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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2B2X
 | | VLA1 RdeltaH I-domain complexed with a quadruple mutant of the AQC2 Fab | | 分子名称: | Antibody AQC2 Fab, Integrin alpha-1, MAGNESIUM ION | | 著者 | Clark, L.A, Boriack-Sjodin, P.A, Eldredge, J, Fitch, C, Friedman, B, Hanf, K.J, Jarpe, M, Liparoto, S.F, Li, Y, Lugovskoy, A. | | 登録日 | 2005-09-19 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Affinity enhancement of an in vivo matured therapeutic antibody using structure-based computational design
Protein Sci., 15, 2006
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4QS5
 | | CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT | | 分子名称: | 4-hydroxy-3-methoxy-5-nitrobenzoic acid, ACETATE ION, CHLORIDE ION, ... | | 著者 | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Raushel, M, Almo, S.C. | | 登録日 | 2014-07-02 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal Structure of 5-CARBOXYVANILLATE Decarboxylase from Novosphingobium Aromaticivorans
To be Published
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4QRO
 | | CRYSTAL STRUCTURE of DIHYDROXYBENZOIC ACID DECARBBOXYLASE BPRO_2061 (TARGET EFI-500288) FROM POLAROMONAS SP. JS666 WITH BOUND MANGANESE AND AN INHIBITOR, 2-NITRORESORCINOL | | 分子名称: | 2-nitrobenzene-1,3-diol, ACETATE ION, BICARBONATE ION, ... | | 著者 | Patskovsky, Y, Vladimirova, A, Toro, R, Bhosle, R, Gerlt, J.A, Raushel, M, Almo, S.C. | | 登録日 | 2014-07-01 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal Structure of Dihydroxybenzoate Decarboxylase from Frompolaromonas Sp WITH BOUND MANGANESE AND 2-NITRORESORCINOL
To be Published
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4HIQ
 | | The Structure of V122I Mutant Transthyretin in Complex with AG10 | | 分子名称: | 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin | | 著者 | Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A. | | 登録日 | 2012-10-11 | | 公開日 | 2013-06-05 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4RBW
 | | Crystal structure of human alpha-defensin 5, HD5 (Thr7Arg Glu21Arg mutant) | | 分子名称: | CHLORIDE ION, Defensin-5, SULFATE ION | | 著者 | Pazgier, M, Gohain, N, Tolbert, W.D. | | 登録日 | 2014-09-13 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design of a potent antibiotic peptide based on the active region of human defensin 5.
J.Med.Chem., 58, 2015
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4IN4
 | | Crystal structure of cpd 15 bound to Keap1 Kelch domain | | 分子名称: | 2-({5-[(2,4-dimethylphenyl)sulfonyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, Kelch-like ECH-associated protein 1, PHOSPHATE ION | | 著者 | Silvian, L, Marcotte, D. | | 登録日 | 2013-01-03 | | 公開日 | 2013-05-15 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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3T3P
 | | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | | 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, CALCIUM ION, ... | | 著者 | Zhu, J, Zhu, J, Springer, T.A. | | 登録日 | 2011-07-25 | | 公開日 | 2012-03-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
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3T3M
 | | A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS | | 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, CALCIUM ION, ... | | 著者 | Zhu, J, Zhu, J, Springer, T.A. | | 登録日 | 2011-07-25 | | 公開日 | 2012-03-28 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
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4IQK
 | | Crystal structure of cpd 16 bound to Keap1 Kelch domain | | 分子名称: | Kelch-like ECH-associated protein 1, N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide) | | 著者 | Silvian, L, Marcotte, D. | | 登録日 | 2013-01-11 | | 公開日 | 2013-05-15 | | 最終更新日 | 2013-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism.
Bioorg.Med.Chem., 21, 2013
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3IPY
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with an inhibitor | | 分子名称: | 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine, D-MALATE, Deoxycytidine kinase | | 著者 | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | 登録日 | 2009-08-18 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3IPX
 | | X-Ray structure of Human Deoxycytidine Kinase in complex with ADP and an inhibitor | | 分子名称: | 2'-deoxy-5-fluorocytidine, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | | 著者 | Tari, L.W, Swanson, R.V, Hunter, M, Hoffman, I, Stouch, T.R, Carson, K.G. | | 登録日 | 2009-08-18 | | 公開日 | 2010-08-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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7ZEC
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7ZDA
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7ZDR
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7ZDB
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7ZDG
 | | IF(heme/confined) conformation of CydDC (Dataset-5) | | 分子名称: | ATP-binding/permease protein CydC, ATP-binding/permease protein CydD, HEME B/C | | 著者 | Wu, D, Safarian, S. | | 登録日 | 2022-03-29 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Dissecting the conformational complexity and mechanism of a bacterial heme transporter.
Nat.Chem.Biol., 19, 2023
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7ZDS
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7ZDV
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