3F7W
 
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1VRU
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | 分子名称: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | | 著者 | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | 登録日 | 1995-04-19 | | 公開日 | 1996-04-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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7JJC
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1AGD
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYKL-INDEX PEPTIDE) | | 分子名称: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYKL - INDEX PEPTIDE) | | 著者 | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | 登録日 | 1997-03-24 | | 公開日 | 1997-06-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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3I10
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1AGE
 | | ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGKKKYRL-7R MUTATION) | | 分子名称: | B*0801, BETA-2 MICROGLOBULIN, HIV-1 GAG PEPTIDE (GGKKKYRL - 7R MUTATION) | | 著者 | Reid, S.W, Mcadam, S, Smith, K.J, Klenerman, P, O'Callaghan, C.A, Harlos, K, Jakobsen, B.K, Mcmichael, A.J, Bell, J, Stuart, D.I, Jones, E.Y. | | 登録日 | 1997-03-24 | | 公開日 | 1997-06-16 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Antagonist HIV-1 Gag peptides induce structural changes in HLA B8.
J.Exp.Med., 184, 1996
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3T9T
 | | Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline | | 分子名称: | (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, Tyrosine-protein kinase ITK/TSK | | 著者 | Han, S, Caspers, N. | | 登録日 | 2011-08-03 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
Bioorg.Med.Chem.Lett., 21, 2011
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4AC3
 | | S.pneumoniae GlmU in complex with an antibacterial inhibitor | | 分子名称: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | | 登録日 | 2011-12-12 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4K85
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P) | | 分子名称: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | | 登録日 | 2013-04-17 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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4K8N
 | | Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P) | | 分子名称: | (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1 | | 著者 | Simanshu, D.K, Brown, R.E, Patel, D.J. | | 登録日 | 2013-04-18 | | 公開日 | 2013-07-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | | 主引用文献 | Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
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2MG8
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4C61
 | | Inhibitors of Jak2 Kinase domain | | 分子名称: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | 著者 | Read, J.A, Green, I, Pollard, H, Howard, T. | | 登録日 | 2013-09-17 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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3TGS
 | | Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | 著者 | Kwon, Y.D, Kwong, P.D. | | 登録日 | 2011-08-17 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1XLA
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1XLK
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | 分子名称: | D-XYLOSE ISOMERASE, MANGANESE (II) ION | | 著者 | Collyer, C.A, Henrick, K, Blow, D.M. | | 登録日 | 1991-10-09 | | 公開日 | 1993-07-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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3F78
 | | Crystal structure of wild type LFA1 I domain complexed with isoflurane | | 分子名称: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ... | | 著者 | Zhang, H, Wang, J.-H. | | 登録日 | 2008-11-07 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
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3D4E
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1Q2P
 | | SHV-1 class A beta-lactamase complexed with penem WAY185229 | | 分子名称: | (6,7-DIHYDRO-5H-CYCLOPENTA[D]IMIDAZO[2,1-B]THIAZOL-2-YL]-4,7-DIHYDRO[1,4]THIAZEPINE-3,6-DICARBOXYLIC ACID, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, beta-lactamase SHV-1 | | 著者 | Nukaga, M, Venkatesan, A.M, Mansour, T.S, Hujer, A, Bonomo, R.A, Knox, J.R. | | 登録日 | 2003-07-25 | | 公開日 | 2004-09-14 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates
J.Med.Chem., 47, 2004
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1XKG
 | | Crystal structure of the major house dust mite allergen Der p 1 in its pro form at 1.61 A resolution | | 分子名称: | GLYCEROL, Major mite fecal allergen Der p 1, SULFATE ION, ... | | 著者 | Meno, K, Thorsted, P.B, Gajhede, M. | | 登録日 | 2004-09-29 | | 公開日 | 2005-06-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | The crystal structure of recombinant proDer p 1, a major house dust mite proteolytic allergen.
J.Immunol., 175, 2005
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4LV7
 | | Crystal structure of inositol 1,3,4,5,6-pentakisphosphate 2-kinase E82C/S142C | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Inositol-pentakisphosphate 2-kinase, ... | | 著者 | Gosein, V, Miller, G.J. | | 登録日 | 2013-07-26 | | 公開日 | 2013-11-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Conformational stability of inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) dictates its substrate selectivity.
J. Biol. Chem., 288, 2013
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1XLE
 | | MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT | | 分子名称: | D-XYLOSE ISOMERASE, MANGANESE (II) ION | | 著者 | Collyer, C.A, Henrick, K, Blow, D.M. | | 登録日 | 1991-10-09 | | 公開日 | 1993-07-15 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
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3F7X
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1XNJ
 | | APS complex of human PAPS synthetase 1 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 | | 著者 | Harjes, S, Bayer, P, Scheidig, A.J. | | 登録日 | 2004-10-05 | | 公開日 | 2005-08-30 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | The crystal structure of human PAPS synthetase 1 reveals asymmetry in substrate binding
J.Mol.Biol., 347, 2005
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1JH1
 | | Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor | | 分子名称: | BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE, CALCIUM ION, Matrix Metalloproteinase 8, ... | | 著者 | Schroder, J, Henke, A, Wenzel, H, Brandstetter, H, Stammler, H.G, Stammler, A, Pfeiffer, W.D, Tschesche, H. | | 登録日 | 2001-06-27 | | 公開日 | 2001-12-27 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold.
J.Med.Chem., 44, 2001
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3AL1
 | | DESIGNED PEPTIDE ALPHA-1, RACEMIC P1BAR FORM | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ETHANOLAMINE, PROTEIN (D, ... | | 著者 | Patterson, W.R, Anderson, D.H, Degrado, W.F, Cascio, D, Eisenberg, D. | | 登録日 | 1998-10-26 | | 公開日 | 1998-11-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (0.75 Å) | | 主引用文献 | Centrosymmetric bilayers in the 0.75 A resolution structure of a designed alpha-helical peptide, D,L-Alpha-1.
Protein Sci., 8, 1999
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