5NGJ
 
 | | Crystal structure of pb6, major tail tube protein of bacteriophage T5 | | 分子名称: | CHLORIDE ION, Tail tube protein | | 著者 | Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C. | | 登録日 | 2017-03-17 | | 公開日 | 2018-01-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection.
Nat Commun, 8, 2017
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4H6J
 | | Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction. | | 分子名称: | ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA | | 著者 | Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A. | | 登録日 | 2012-09-19 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction.
Protein Sci., 21, 2012
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4HMK
 | | Crystal structure of LeuT-E290S with bound Br | | 分子名称: | BROMIDE ION, LEUCINE, SODIUM ION, ... | | 著者 | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | | 登録日 | 2012-10-18 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
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4HOD
 | | Crystal structure of LeuT-E290S with bound Cl | | 分子名称: | CHLORIDE ION, LEUCINE, SODIUM ION, ... | | 著者 | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | | 登録日 | 2012-10-22 | | 公開日 | 2013-05-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | The chloride binding site of Neurotransmitter Sodium Symporters
Proc.Natl.Acad.Sci.USA, 2013
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3RLQ
 | | Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5- carbonitrile | | 分子名称: | 4-(2,4-dichloro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. | | 登録日 | 2011-04-20 | | 公開日 | 2011-06-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
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3RLP
 | | Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine | | 分子名称: | 4-(2,4-dichloro-5-methoxyphenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. | | 登録日 | 2011-04-20 | | 公開日 | 2011-06-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
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3RLR
 | | Co-crystal structure of the HSP90 ATP binding domain in complex with 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | | 分子名称: | 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Heat shock protein HSP 90-alpha, PHOSPHATE ION | | 著者 | Kung, P.-P, Sinnema, P.-J, Richardson, P, Hickey, M.J, Gajiwala, K.S, Wang, F, Huang, B, McClellan, G, Wang, J, Maegley, K, Bergqvist, S, Mehta, P.P, Kania, R. | | 登録日 | 2011-04-20 | | 公開日 | 2011-06-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 21, 2011
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4ACG
 | | GSK3b in complex with inhibitor | | 分子名称: | 2-AMINO-5-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-[4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-3-YL]PYRIDINE-3-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4ACC
 | | GSK3b in complex with inhibitor | | 分子名称: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, DIMETHYL SULFOXIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-14 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4ACD
 | | GSK3b in complex with inhibitor | | 分子名称: | 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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4ACH
 | | GSK3b in complex with inhibitor | | 分子名称: | 3-AMINO-N-(3-METHOXYPROPYL)-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PYRAZINE-2-CARBOXAMIDE, GLYCOGEN SYNTHASE KINASE-3 BETA | | 著者 | Xue, Y, Ormo, M. | | 登録日 | 2011-12-15 | | 公開日 | 2012-05-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines.
J. Med. Chem., 55, 2012
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5JSN
 | | Bcl2-inhibitor complex | | 分子名称: | Apoptosis regulator Bcl-2, Bcl2 inhibitor | | 著者 | Shen, B.W, Stoddard, B.L. | | 登録日 | 2016-05-09 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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8UTK
 | | IL-23R minibinder - 23R-B04dslf02IB | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ... | | 著者 | Bera, A.K, Berger, S.A, Kang, A, Baker, D. | | 登録日 | 2023-10-31 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 2024
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8P25
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8EJA
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5JSB
 | | Crystal structure of Mcl1-inhibitor complex | | 分子名称: | Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 inhibitor | | 著者 | Shen, B.W, Stoddard, B.L. | | 登録日 | 2016-05-07 | | 公開日 | 2016-11-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Computationally designed high specificity inhibitors delineate the roles of BCL2 family proteins in cancer.
Elife, 5, 2016
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7R9G
 | | Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA | | 分子名称: | CHLORIDE ION, RNA (5'-R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, ... | | 著者 | Doyle, L.A, Stoddard, B.L. | | 登録日 | 2021-06-29 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
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7R9F
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6GDA
 | | Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine | | 分子名称: | Cytochrome c iso-1, HEME C, SPERMINE, ... | | 著者 | Rennie, M.L, Fox, G.C, Crowley, P.B. | | 登録日 | 2018-04-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.
Acs Nano, 13, 2019
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2IBN
 | | Crystal structure of Human myo-Inositol Oxygenase (MIOX) | | 分子名称: | (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE, CYSTEINE, FE (III) ION, ... | | 著者 | Hallberg, B.M, Busam, R.D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Uppenberg, J, Van Den Berg, S, Weigelt, J, Thorsell, A.G, Persson, C, Structural Genomics Consortium (SGC) | | 登録日 | 2006-09-11 | | 公開日 | 2006-10-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and Biophysical Characterization of Human myo-Inositol Oxygenase
J.Biol.Chem., 283, 2008
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2J2C
 | | Crystal structure of Human Cytosolic 5'-Nucleotidase II (NT5C2, cN-II) | | 分子名称: | CYTOSOLIC PURINE 5'-NUCLEOTIDASE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Wallden, K, Stenmark, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Karlberg, T, Kotenyova, T, Loppnau, P, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Nordlund, P. | | 登録日 | 2006-08-16 | | 公開日 | 2006-09-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of Human Cytosolic 5'- Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition
J.Biol.Chem., 282, 2007
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3ELP
 | | Structure of cystationine gamma lyase | | 分子名称: | Cystathionine gamma-lyase | | 著者 | Sun, Q, Sivaraman, J. | | 登録日 | 2008-09-23 | | 公開日 | 2008-11-18 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S
J.Biol.Chem., 284, 2009
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2J4E
 | | THE ITP COMPLEX OF HUMAN INOSINE TRIPHOSPHATASE | | 分子名称: | INOSINE 5'-TRIPHOSPHATE, INOSINE TRIPHOSPHATE PYROPHOSPHATASE, INOSINIC ACID, ... | | 著者 | Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmbergschiavone, L, Hogbom, M, Kotenyova, T, Landry, R, Loppnau, P, Magnusdottir, A, Nilsson-Ehle, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Thorsell, A.G, Schuler, H, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | | 登録日 | 2006-08-29 | | 公開日 | 2006-09-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Human Inosine Triphosphatase: Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T.
J.Biol.Chem., 282, 2007
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2WGH
 | | Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg. | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P. | | 登録日 | 2009-04-19 | | 公開日 | 2009-05-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
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2VXO
 | | Human GMP synthetase in complex with XMP | | 分子名称: | GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE | | 著者 | Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P. | | 登録日 | 2008-07-08 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
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