1QR0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1qr0 by Molmil](/molmil-images/mine/1qr0) | CRYSTAL STRUCTURE OF THE 4'-PHOSPHOPANTETHEINYL TRANSFERASE SFP-COENZYME A COMPLEX | 分子名称: | 4'-PHOSPHOPANTETHEINYL TRANSFERASE SFP, COENZYME A, MAGNESIUM ION | 著者 | Reuter, K, Mofid, R.M, Marahiel, A.M, Ficner, R. | 登録日 | 1999-06-17 | 公開日 | 1999-12-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of the surfactin synthetase-activating enzyme sfp: a prototype of the 4'-phosphopantetheinyl transferase superfamily. EMBO J., 18, 1999
|
|
4L8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l8a by Molmil](/molmil-images/mine/4l8a) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in ternary complex with N-Phenylacetyl-Gly-AcLys and CoA | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, N-(phenylacetyl)glycyl-N~6~-acetyl-L-lysine, ... | 著者 | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2013-06-16 | 公開日 | 2013-07-10 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa. J.Biol.Chem., 288, 2013
|
|
1OYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1oyt by Molmil](/molmil-images/mine/1oyt) | COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | 分子名称: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | 著者 | Banner, D.W, Olsen, J.A. | 登録日 | 2003-04-07 | 公開日 | 2003-06-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions. Angew.Chem.Int.Ed.Engl., 42, 2003
|
|
4KUB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kub by Molmil](/molmil-images/mine/4kub) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with CoA | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, GNAT superfamily acetyltransferase PA4794, ... | 著者 | Majorek, K.A, Chruszcz, M, Osinski, T, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2013-05-21 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa. J.Biol.Chem., 288, 2013
|
|
1N71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n71 by Molmil](/molmil-images/mine/1n71) | Crystal structure of aminoglycoside 6'-acetyltransferase type Ii in complex with coenzyme A | 分子名称: | COENZYME A, SULFATE ION, aac(6')-Ii | 著者 | Burk, D.L, Ghuman, N, Wybenga-Groot, L.E, Berghuis, A.M. | 登録日 | 2002-11-12 | 公開日 | 2003-03-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray structure of the AAC(6')-Ii antibiotic resistance enzyme at 1.8 A resolution; examination of oligomeric arrangements in GNAT superfamily members Protein Sci., 12, 2003
|
|
3GAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gar by Molmil](/molmil-images/mine/3gar) | A PH-DEPENDENT STABLIZATION OF AN ACTIVE SITE LOOP OBSERVED FROM LOW AND HIGH PH CRYSTAL STRUCTURES OF MUTANT MONOMERIC GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE | 分子名称: | GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE, PHOSPHATE ION | 著者 | Su, Y, Yamashita, M.M, Greasley, S.E, Mullen, C.A, Shim, J.H, Jennings, P.A, Benkovic, S.J, Wilson, I.A. | 登録日 | 1998-05-13 | 公開日 | 1998-08-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A pH-dependent stabilization of an active site loop observed from low and high pH crystal structures of mutant monomeric glycinamide ribonucleotide transformylase at 1.8 to 1.9 A. J.Mol.Biol., 281, 1998
|
|
4O4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o4l by Molmil](/molmil-images/mine/4o4l) | Tubulin-Peloruside A-Epothilone A complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | 著者 | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | 登録日 | 2013-12-18 | 公開日 | 2014-03-26 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4BBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bbx by Molmil](/molmil-images/mine/4bbx) | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | 分子名称: | 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | 著者 | Bartolome-Nebreda, J.M, Conde-Ceide, S, Delgado, F, Martin, M.L, Martinez-Viturro, C.M, Pastor, J, Tong, H.M, Iturrino, L, Macdonald, G.J, Sanderson, W, Megens, A, Langlois, X, Somers, M, Vanhoof, G. | 登録日 | 2012-09-28 | 公開日 | 2013-10-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of a Potent, Selective and Orally Active Pde10A Inhibitor for the Potential Treatment of Schizophrenia. J.Med.Chem., 57, 2014
|
|
4AOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4aof by Molmil](/molmil-images/mine/4aof) | Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma | 分子名称: | N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | 著者 | Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G. | 登録日 | 2012-03-26 | 公開日 | 2012-05-09 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation. Nat.Chem.Biol., 8, 2012
|
|
2VSS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vss by Molmil](/molmil-images/mine/2vss) | Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin | 分子名称: | 4-hydroxy-3-methoxybenzaldehyde, ACETYL COENZYME *A, P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | 著者 | Bennett, J.P, Bertin, L.M, Brzozowski, A.M, Walton, N.J, Grogan, G. | 登録日 | 2008-04-29 | 公開日 | 2008-05-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | A Ternary Complex of Hydroxycinnamoyl-Coa Hydratase-Lyase (Hchl) with Acetyl-Coa and Vanillin Gives Insights Into Substrate Specificity and Mechanism. Biochem.J., 414, 2008
|
|
1PN4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1pn4 by Molmil](/molmil-images/mine/1pn4) | Crystal structure of 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 complexed with (3R)-hydroxydecanoyl-CoA. | 分子名称: | 1,2-ETHANEDIOL, 3R-HYDROXYDECANOYL-COENZYME A, Peroxisomal hydratase-dehydrogenase-epimerase | 著者 | Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T. | 登録日 | 2003-06-12 | 公開日 | 2004-04-13 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2. J.Biol.Chem., 279, 2004
|
|
7Z6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z6l by Molmil](/molmil-images/mine/7z6l) | Crystal structure of PROTAC 5 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Roy, M.J, Bader, G, Farnaby, W, Ciulli, A. | 登録日 | 2022-03-12 | 公開日 | 2022-09-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | A selective and orally bioavailable VHL-recruiting PROTAC achieves SMARCA2 degradation in vivo. Nat Commun, 13, 2022
|
|
4HUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hur by Molmil](/molmil-images/mine/4hur) | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus in complex with acetyl coenzyme A | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, CHLORIDE ION, ... | 著者 | Stogios, P.J, Minasov, G, Evdokimova, E, Wawrzak, Z, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-11-03 | 公開日 | 2012-11-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA. Antimicrob.Agents Chemother., 58, 2014
|
|
4MHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mhi by Molmil](/molmil-images/mine/4mhi) | |
4MHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mhh by Molmil](/molmil-images/mine/4mhh) | |
3EBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ebx by Molmil](/molmil-images/mine/3ebx) | REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER | 分子名称: | ERABUTOXIN B, SULFATE ION | 著者 | Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W. | 登録日 | 1988-01-15 | 公開日 | 1988-04-16 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder. Acta Crystallogr.,Sect.A, 44, 1988
|
|
3IO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | 分子名称: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | 著者 | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | 登録日 | 2009-08-13 | 公開日 | 2009-11-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
|
|
4EU9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eu9 by Molmil](/molmil-images/mine/4eu9) | |
3OA9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3oa9 by Molmil](/molmil-images/mine/3oa9) | Effector domain of influenza A/Duck/Albany/76 NS1 | 分子名称: | Non-structural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-05 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
|
|
3IOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iok by Molmil](/molmil-images/mine/3iok) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | 分子名称: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | 著者 | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | 登録日 | 2009-08-14 | 公開日 | 2009-11-10 | 最終更新日 | 2013-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
|
|
3EML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3eml by Molmil](/molmil-images/mine/3eml) | The 2.6 A Crystal Structure of a Human A2A Adenosine Receptor bound to ZM241385. | 分子名称: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Human Adenosine A2A receptor/T4 lysozyme chimera, STEARIC ACID, ... | 著者 | Jaakola, V.-P, Griffith, M.T, Hanson, M.A, Cherezov, V, Chien, E.Y.T, Lane, J.R, Ijzerman, A.P, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) | 登録日 | 2008-09-24 | 公開日 | 2008-10-14 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The 2.6 Angstrom Crystal Structure of a Human A2A Adenosine Receptor Bound to an Antagonist. Science, 322, 2008
|
|
3KF7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kf7 by Molmil](/molmil-images/mine/3kf7) | Crystal Structure of Human p38alpha Complexed With a Triazolopyrimidine compound | 分子名称: | 3-{6-[2-(2,4-difluorophenyl)ethyl][1,2,4]triazolo[4,3-a]pyridin-3-yl}-4-methylbenzamide, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Xing, L, Jerome, K.D. | 登録日 | 2009-10-27 | 公開日 | 2009-12-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition. Bioorg.Med.Chem.Lett., 20, 2010
|
|
4L89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l89 by Molmil](/molmil-images/mine/4l89) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with covalently bound CoA | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, SULFATE ION, ... | 著者 | Majorek, K.A, Chruszcz, M, Maclean, E, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2013-06-16 | 公開日 | 2013-07-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa. J.Biol.Chem., 288, 2013
|
|
4O4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o4i by Molmil](/molmil-images/mine/4o4i) | Tubulin-Laulimalide-Epothilone A complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | 著者 | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | 登録日 | 2013-12-18 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4JJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jjm by Molmil](/molmil-images/mine/4jjm) | Structure of a cyclophilin from Citrus sinensis (CsCyp) in complex with cyclosporin A | 分子名称: | Peptidyl-prolyl cis-trans isomerase, cyclosporin A | 著者 | Campos, B.M, Ambrosio, A.L.B, Souza, T.A.C.B, Barbosa, J.A.R.G, Benedetti, C.E. | 登録日 | 2013-03-08 | 公開日 | 2013-06-12 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | A redox 2-cys mechanism regulates the catalytic activity of divergent cyclophilins. Plant Physiol., 162, 2013
|
|