3RVG
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![BU of 3rvg by Molmil](/molmil-images/mine/3rvg) | Crystals structure of Jak2 with a 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitor | Descriptor: | 1-(cyclohexylamino)-7-(1-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Lim, J, Taoka, B, Otte, R.D, Spencer, K, Dinsmore, C.J, Altman, M.D, Chan, G, Rosenstein, C, Sharma, S, Su, H.P, Szewczak, A.A, Xu, L, Yin, H, Zugay-Murphy, J, Marshall, C.G, Young, J.R. | Deposit date: | 2011-05-06 | Release date: | 2012-03-21 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders. J.Med.Chem., 54, 2011
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2L9F
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![BU of 2l9f by Molmil](/molmil-images/mine/2l9f) | NMR solution structure of meACP | Descriptor: | CalE8 | Authors: | Lim, J, Yang, D, Liang, Z.X, Kong, R, Murugan, E, Ho, C.L. | Deposit date: | 2011-02-08 | Release date: | 2011-06-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structures of the acyl carrier protein domain from the highly reducing type I iterative polyketide synthase CalE8 Plos One, 6, 2011
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2LUT
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![BU of 2lut by Molmil](/molmil-images/mine/2lut) | NMR solution structure of midkine-a | Descriptor: | Midkine-related growth factor | Authors: | Lim, J, Yang, D, Meng, D. | Deposit date: | 2012-06-21 | Release date: | 2013-05-01 | Method: | SOLUTION NMR | Cite: | Structural and Functional Characterization of Two Zebrafish Midkine Proteins Reveals Importance of the Conserved Hinge for Heparin Binding and Embryogenesis To be Published
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5KE0
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![BU of 5ke0 by Molmil](/molmil-images/mine/5ke0) | Discovery of 1-1H-Pyrazolo 4,3-c pyridine-6-yl urea Inhibitors of Extracellular Signal Regulated Kinase ERK for the Treatment of Cancers | Descriptor: | 1-[3-(2-methylpyridin-4-yl)-1~{H}-pyrazolo[4,3-c]pyridin-6-yl]-3-(phenylmethyl)urea, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Hruza, A, Lim, J. | Deposit date: | 2016-06-09 | Release date: | 2016-07-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of 1-(1H-Pyrazolo[4,3-c]pyridin-6-yl)urea Inhibitors of Extracellular Signal-Regulated Kinase (ERK) for the Treatment of Cancers. J.Med.Chem., 59, 2016
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2M6M
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2LUU
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![BU of 2luu by Molmil](/molmil-images/mine/2luu) | NMR solution structure of midkine-b, mdkb | Descriptor: | Midkine-related growth factor Mdk2 | Authors: | Yang, D, Lim, J, Meng, D. | Deposit date: | 2012-06-21 | Release date: | 2013-05-01 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of full-length midkine reveals novel residues important for heparin binding and zebrafish embryogenesis. Biochem.J., 451, 2013
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7RSJ
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![BU of 7rsj by Molmil](/molmil-images/mine/7rsj) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSP
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![BU of 7rsp by Molmil](/molmil-images/mine/7rsp) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
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![BU of 7rsv by Molmil](/molmil-images/mine/7rsv) | Structure of the VPS34 kinase domain with compound 5 | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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2QJ6
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![BU of 2qj6 by Molmil](/molmil-images/mine/2qj6) | Crystal structure analysis of a 14 repeat C-terminal fragment of toxin TcdA in Clostridium difficile | Descriptor: | Toxin A | Authors: | Albesa-Jove, D, Bertrand, T, Carpenter, L, Lim, J, Brown, K.A, Fairweather, N. | Deposit date: | 2007-07-06 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Solution and crystal structures of the cell binding domain of toxins TcdA and TcdB from Clostridium difficile To be Published
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3K30
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![BU of 3k30 by Molmil](/molmil-images/mine/3k30) | Histamine dehydrogenase from Nocardiodes simplex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Histamine dehydrogenase, ... | Authors: | Scott, E.E, Reed, T.M, Limburg, J. | Deposit date: | 2009-09-30 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of histamine dehydrogenase from Nocardioides simplex. J.Biol.Chem., 285, 2010
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3ITQ
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![BU of 3itq by Molmil](/molmil-images/mine/3itq) | Crystal Structure of a Prolyl 4-Hydroxylase from Bacillus anthracis | Descriptor: | GLYCEROL, PHOSPHATE ION, Prolyl 4-hydroxylase, ... | Authors: | Culpepper, M.A, Scott, E.E, Limburg, J. | Deposit date: | 2009-08-28 | Release date: | 2009-12-15 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of prolyl 4-hydroxylase from Bacillus anthracis. Biochemistry, 49, 2010
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4Y73
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![BU of 4y73 by Molmil](/molmil-images/mine/4y73) | Crystal structure of IRAK4 kinase domain with inhibitor | Descriptor: | 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4 | Authors: | Lesburg, C.A. | Deposit date: | 2015-02-13 | Release date: | 2015-05-20 | Last modified: | 2015-07-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4. Acs Med.Chem.Lett., 6, 2015
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4WYS
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![BU of 4wys by Molmil](/molmil-images/mine/4wys) | Crystal structure of thiolase from Escherichia coli | Descriptor: | Acetyl-CoA acetyltransferase | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2014-11-18 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4WYR
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![BU of 4wyr by Molmil](/molmil-images/mine/4wyr) | Crystal structure of thiolase mutation (V77Q,N153Y,A286K) from Clostridium acetobutylicum | Descriptor: | Acetyl-CoA acetyltransferase, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2014-11-18 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4XL4
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![BU of 4xl4 by Molmil](/molmil-images/mine/4xl4) | Crystal structure of thiolase from Clostridium acetobutylicum in complex with CoA | Descriptor: | Acetyl-CoA acetyltransferase, COENZYME A, GLYCEROL | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2015-01-13 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4XL2
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![BU of 4xl2 by Molmil](/molmil-images/mine/4xl2) | Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum | Descriptor: | ACETATE ION, Acetyl-CoA acetyltransferase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2015-01-13 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4XL3
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![BU of 4xl3 by Molmil](/molmil-images/mine/4xl3) | Crystal structure of reduced form of thiolase from Clostridium acetobutylicum | Descriptor: | Acetyl-CoA acetyltransferase, GLYCEROL | Authors: | Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J. | Deposit date: | 2015-01-13 | Release date: | 2015-10-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Redox-switch regulatory mechanism of thiolase from Clostridium acetobutylicum Nat Commun, 6, 2015
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4OK7
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![BU of 4ok7 by Molmil](/molmil-images/mine/4ok7) | Structure of bacteriophage SPN1S endolysin from Salmonella typhimurium | Descriptor: | Endolysin, GLYCEROL, SULFATE ION | Authors: | Park, Y, Lim, J, Kong, M, Ryu, S, Rhee, S. | Deposit date: | 2014-01-22 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of bacteriophage SPN1S endolysin reveals an unusual two-module fold for the peptidoglycan lytic and binding activity. Mol.Microbiol., 92, 2014
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8UZH
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![BU of 8uzh by Molmil](/molmil-images/mine/8uzh) | |
8UQV
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![BU of 8uqv by Molmil](/molmil-images/mine/8uqv) | |
7M0K
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![BU of 7m0k by Molmil](/molmil-images/mine/7m0k) | HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-anilino-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0M
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![BU of 7m0m by Molmil](/molmil-images/mine/7m0m) | HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-[2-fluoro-6-(trifluoromethyl)anilino]-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7M0L
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![BU of 7m0l by Molmil](/molmil-images/mine/7m0l) | HPK1 IN COMPLEX WITH COMPOUND 1 | Descriptor: | 4-(2-bromoanilino)-2-[(6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrimidine-5-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2021-03-11 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of Diaminopyrimidine Carboxamide HPK1 Inhibitors as Preclinical Immunotherapy Tool Compounds. Acs Med.Chem.Lett., 12, 2021
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7MHC
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![BU of 7mhc by Molmil](/molmil-images/mine/7mhc) | Structure of human STING in complex with MK-1454 | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Lesburg, C.A. | Deposit date: | 2021-04-15 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A kinase-cGAS cascade to synthesize a therapeutic STING activator. Nature, 603, 2022
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