4U42
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![BU of 4u42 by Molmil](/molmil-images/mine/4u42) | MAP4K4 T181E Mutant Bound to inhibitor compound 1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2016-01-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures to be published
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5W5Q
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![BU of 5w5q by Molmil](/molmil-images/mine/5w5q) | MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide) | Descriptor: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2017-06-15 | Release date: | 2018-06-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). Acs Med.Chem.Lett., 10, 2019
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3R1G
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![BU of 3r1g by Molmil](/molmil-images/mine/3r1g) | Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody | Descriptor: | Beta-secretase 1, FAB of YW412.8.31 antibody heavy chain, FAB of YW412.8.31 antibody light chain | Authors: | Wang, W, Rouge, L, Wu, P, Chiu, C, Chen, Y, Wu, Y, Watts, R.J. | Deposit date: | 2011-03-10 | Release date: | 2011-06-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Therapeutic Antibody Targeting BACE1 Inhibits Amyloid-{beta} Production in Vivo. Sci Transl Med, 3, 2011
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4QYH
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![BU of 4qyh by Molmil](/molmil-images/mine/4qyh) | CHK1 kinase domain in complex with diazacarbazole GNE-783 | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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4QYG
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![BU of 4qyg by Molmil](/molmil-images/mine/4qyg) | CHK1 kinase domain in complex with diazacarbazole compound 14 | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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7SI1
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![BU of 7si1 by Molmil](/molmil-images/mine/7si1) | |
4QYF
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![BU of 4qyf by Molmil](/molmil-images/mine/4qyf) | CHK1 kinase domain in complex with aminopyrazine compound 13 | Descriptor: | 4-[3-amino-6-(3-hydroxyphenyl)pyrazin-2-yl]benzoic acid, Serine/threonine-protein kinase Chk1 | Authors: | Appleton, B, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
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4U45
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![BU of 4u45 by Molmil](/molmil-images/mine/4u45) | MAP4K4 in complex with inhibitor (compound 25) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(1H-pyrazol-4-yl)-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U43
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![BU of 4u43 by Molmil](/molmil-images/mine/4u43) | MAP4K4 in complex with inhibitor (compound 6) | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 4, N-(pyridin-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4U44
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![BU of 4u44 by Molmil](/molmil-images/mine/4u44) | MAP4K4 in complex with inhibitor (compound 16) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-phenyl-N-(pyridin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-07-23 | Release date: | 2014-09-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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8G4Y
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![BU of 8g4y by Molmil](/molmil-images/mine/8g4y) | Structure of ZNRF3 ECD bound to peptide MK1-3.6.10 | Descriptor: | E3 ubiquitin-protein ligase ZNRF3, MK1-3.6.10 | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2023-02-10 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth. Cell Chem Biol, 31, 2024
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4ZK5
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![BU of 4zk5 by Molmil](/molmil-images/mine/4zk5) | MAP4K4 in complex with inhibitor GNE-495 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 8-amino-N-[1-(cyclopropylcarbonyl)azetidin-3-yl]-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2015-04-29 | Release date: | 2015-09-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structure-Based Design of GNE-495, a Potent and Selective MAP4K4 Inhibitor with Efficacy in Retinal Angiogenesis. Acs Med.Chem.Lett., 6, 2015
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4ZFF
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![BU of 4zff by Molmil](/molmil-images/mine/4zff) | Dual-acting Fab 5A12 in complex with VEGF | Descriptor: | Fragment antigen binding (Fab) 5A12 Heavy chain, Fragment antigen binding (Fab) 5A12 Light chain, SULFATE ION, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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4ZFG
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![BU of 4zfg by Molmil](/molmil-images/mine/4zfg) | Dual-specificity Fab 5A12 in complex with Angiopoietin 2 | Descriptor: | Angiopoietin-2, CALCIUM ION, Fragment antigen binding 5A12 heavy chain, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2015-04-21 | Release date: | 2015-07-01 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration. J.Biol.Chem., 290, 2015
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2LKZ
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![BU of 2lkz by Molmil](/molmil-images/mine/2lkz) | Solution structure of the second RRM domain of RBM5 | Descriptor: | RNA-binding protein 5 | Authors: | Song, Z, Wu, P, Zhang, J, Wu, J, Shi, Y. | Deposit date: | 2011-10-23 | Release date: | 2012-08-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second RRM domain of RBM5 and its unusual binding characters for different RNA targets Biochemistry, 2012
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6AAX
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![BU of 6aax by Molmil](/molmil-images/mine/6aax) | Crystal structure of TFB1M and h45 with SAM in homo sapiens | Descriptor: | DI(HYDROXYETHYL)ETHER, Dimethyladenosine transferase 1, mitochondrial, ... | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Gong, Q, Wu, J, Zhang, H, Shi, Y. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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5YYS
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![BU of 5yys by Molmil](/molmil-images/mine/5yys) | Cryo-EM structure of L-fucokinase, GDP-fucose pyrophosphorylase (FKP)in Bacteroides fragilis | Descriptor: | L-fucokinase, L-fucose-1-P guanylyltransferase | Authors: | Wang, J, Hu, H, Liu, Y, Zhou, Q, Wu, P, Yan, N, Wang, H.W, Wu, J.W, Sun, L. | Deposit date: | 2017-12-11 | Release date: | 2018-12-12 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of L-fucokinase/GDP-fucose pyrophosphorylase (FKP) in Bacteroides fragilis. Protein Cell, 10, 2019
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6AJK
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![BU of 6ajk by Molmil](/molmil-images/mine/6ajk) | Crystal structure of TFB1M and h45 in homo sapiens | Descriptor: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | Deposit date: | 2018-08-28 | Release date: | 2019-06-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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2AQ5
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![BU of 2aq5 by Molmil](/molmil-images/mine/2aq5) | |
2B4E
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![BU of 2b4e by Molmil](/molmil-images/mine/2b4e) | |
6AAU
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![BU of 6aau by Molmil](/molmil-images/mine/6aau) | Solution Structure for m62A helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (24-mer) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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6AAS
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![BU of 6aas by Molmil](/molmil-images/mine/6aas) | Solution Structure for helix 45 in 3' end of 12S rRNA | Descriptor: | RNA (28-MER) | Authors: | Liu, X, Wu, P. | Deposit date: | 2018-07-19 | Release date: | 2019-06-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function. Nucleic Acids Res., 47, 2019
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4OBP
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![BU of 4obp by Molmil](/molmil-images/mine/4obp) | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | Authors: | Harris, S.F, Wu, P. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OBQ
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![BU of 4obq by Molmil](/molmil-images/mine/4obq) | MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4OBO
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![BU of 4obo by Molmil](/molmil-images/mine/4obo) | MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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