3HR1
 
 | | Discovery of novel inhibitors of PDE10A | | 分子名称: | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | | 著者 | Pandit, J, Marr, E.S. | | 登録日 | 2009-06-08 | | 公開日 | 2009-08-04 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
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3ISI
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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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3L0T
 | | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | | 分子名称: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Orth, P. | | 登録日 | 2009-12-10 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3L3J
 | | Crystal structure of HLA-B*4402 in complex with the F3A/R5A double mutant of a self-peptide derived from DPA*0201 | | 分子名称: | ACETATE ION, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | 著者 | Theodossis, A, Ely, L.K, Rossjohn, J. | | 登録日 | 2009-12-17 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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3L3D
 | | Crystal structure of HLA-B*4402 in complex with the F3A mutant of a self-peptide derived from DPA*0201 | | 分子名称: | ACETATE ION, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Theodossis, A, Ely, L.K, Rossjohn, J. | | 登録日 | 2009-12-16 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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3L3K
 | | Crystal structure of HLA-B*4402 in complex with the R5A/F7A double mutant of a self-peptide derived from DPA*0201 | | 分子名称: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | 著者 | Theodossis, A, Ely, L.K, Rossjohn, J. | | 登録日 | 2009-12-17 | | 公開日 | 2010-03-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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3LEA
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1HJ1
 | | RAT OESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH PURE ANTIOESTROGEN ICI164,384 | | 分子名称: | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-7-YL]-N-METHYLUNDECANAMIDE, NICKEL (II) ION, OESTROGEN RECEPTOR BETA, ... | | 著者 | Pike, A.C.W, Brzozowski, A.M, Carlquist, M. | | 登録日 | 2001-01-08 | | 公開日 | 2002-01-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Insights Into the Mode of Action of a Pure Antiestrogen
Structure, 9, 2001
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3L9M
 | | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | | 分子名称: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3LGP
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3LQX
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3LP3
 | | p15 HIV RNaseH domain with inhibitor MK3 | | 分子名称: | 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium, MANGANESE (II) ION, p15 | | 著者 | Yan, Y, Munshi, S.K, Prasad, G.S, Su, H.P. | | 登録日 | 2010-02-04 | | 公開日 | 2010-06-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural basis for the inhibition of RNase H activity of HIV-1 reverse transcriptase by RNase H active site-directed inhibitors.
J.Virol., 84, 2010
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3LE4
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3L9N
 | | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | | 分子名称: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3LNT
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3L9L
 | | Crystal structure of pka with compound 36 | | 分子名称: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | 著者 | Huang, X. | | 登録日 | 2010-01-05 | | 公開日 | 2011-01-19 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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5E9W
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5E8U
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F,S280T, Y282F,S287N,A350C,L352F) | | 分子名称: | GLYCEROL, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2015-10-14 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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5E91
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6MOK
 | | Dimeric DARPin A_distance_R7 complex with EpoR | | 分子名称: | Dimeric DARPin ANR7 (A_distance_r7), Erythropoietin receptor | | 著者 | Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y. | | 登録日 | 2018-10-04 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (5.101 Å) | | 主引用文献 | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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5E8T
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) | | 分子名称: | GLYCEROL, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2015-10-14 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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5E90
 | | TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F) IN COMPLEX WITH 3-AMINO-6- [4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE | | 分子名称: | 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1 | | 著者 | Sheriff, S. | | 登録日 | 2015-10-14 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
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6MNZ
 | | Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii. | | 分子名称: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION | | 著者 | Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P. | | 登録日 | 2018-10-03 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii.
Cell Chem Biol, 26, 2019
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6MOJ
 | | Dimeric DARPin A_angle_R5 complex with EpoR | | 分子名称: | D(-)-TARTARIC ACID, Dimeric DARPin ACR5 (A_angle_R5), Erythropoietin receptor, ... | | 著者 | Jude, K.M, Mohan, K, Garcia, K.C. | | 登録日 | 2018-10-04 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.431 Å) | | 主引用文献 | Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
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