1PBR
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![BU of 1pbr by Molmil](/molmil-images/mine/1pbr) | STRUCTURE OF 16S RIBOSOMAL RNA, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | 16S RIBOSOMAL RNA, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-beta-D-ribofuranose, 2-DEOXYSTREPTAMINE, ... | Authors: | Fourmy, D, Recht, M.I, Blanchard, S, Puglisi, J.D. | Deposit date: | 1996-09-12 | Release date: | 1997-09-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of the A site of Escherichia coli 16S ribosomal RNA complexed with an aminoglycoside antibiotic. Science, 274, 1996
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7K6O
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![BU of 7k6o by Molmil](/molmil-images/mine/7k6o) | Crystal structure of PI3Kalpha inhibitor 10-5429 | Descriptor: | (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.738 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K71
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![BU of 7k71 by Molmil](/molmil-images/mine/7k71) | Crystal structure of PI3Kalpha inhibitor 4-0686 | Descriptor: | 2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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7K6N
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![BU of 7k6n by Molmil](/molmil-images/mine/7k6n) | Crystal structure of PI3Kalpha selective Inhibitor 11-1575 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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2WHO
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![BU of 2who by Molmil](/molmil-images/mine/2who) | |
8ADE
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![BU of 8ade by Molmil](/molmil-images/mine/8ade) | |
1N5B
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![BU of 1n5b by Molmil](/molmil-images/mine/1n5b) | |
5JSG
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![BU of 5jsg by Molmil](/molmil-images/mine/5jsg) | Crystal structure of Spindlin1 bound to compound EML405 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Spindlin-1, ... | Authors: | Su, X, Li, H. | Deposit date: | 2016-05-08 | Release date: | 2017-05-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Developing Spindlin1 small-molecule inhibitors by using protein microarrays Nat. Chem. Biol., 13, 2017
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5LAC
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![BU of 5lac by Molmil](/molmil-images/mine/5lac) | |
7K6M
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![BU of 7k6m by Molmil](/molmil-images/mine/7k6m) | Crystal structure of PI3Kalpha selective Inhibitor PF-06843195 | Descriptor: | 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Chen, P, Brooun, A, Deng, Y.L, Grodsky, N, Kaiser, S.E. | Deposit date: | 2020-09-21 | Release date: | 2021-01-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195). J.Med.Chem., 64, 2021
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4JOA
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![BU of 4joa by Molmil](/molmil-images/mine/4joa) | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | Deposit date: | 2013-03-18 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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5EY9
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![BU of 5ey9 by Molmil](/molmil-images/mine/5ey9) | Structure of FadD32 from Mycobacterium marinum complexed to AMPC12 | Descriptor: | GLYCEROL, Long-chain-fatty-acid--AMP ligase FadD32, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate | Authors: | Guillet, V, Maveyraud, L, Mourey, L. | Deposit date: | 2015-11-24 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insight into Structure-Function Relationships and Inhibition of the Fatty Acyl-AMP Ligase (FadD32) Orthologs from Mycobacteria. J.Biol.Chem., 291, 2016
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1T6P
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5EY8
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![BU of 5ey8 by Molmil](/molmil-images/mine/5ey8) | Structure of FadD32 from Mycobacterium smegmatis complexed to AMPC20 | Descriptor: | Acyl-CoA synthase, GLYCEROL, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl icosyl hydrogen phosphate | Authors: | Guillet, V, Maveyraud, L, Mourey, L. | Deposit date: | 2015-11-24 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Insight into Structure-Function Relationships and Inhibition of the Fatty Acyl-AMP Ligase (FadD32) Orthologs from Mycobacteria. J.Biol.Chem., 291, 2016
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2V6I
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![BU of 2v6i by Molmil](/molmil-images/mine/2v6i) | Kokobera Virus Helicase | Descriptor: | PYROPHOSPHATE 2-, RNA HELICASE | Authors: | Speroni, S, De Colibus, L, Coutard, B, Canard, B, Mattevi, A. | Deposit date: | 2007-07-18 | Release date: | 2008-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Biochemical Analysis of Kokobera Virus Helicase Proteins: Struct., Funct., Bioinf., 70, 2008
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2V6J
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![BU of 2v6j by Molmil](/molmil-images/mine/2v6j) | Kokobera Virus Helicase: Mutant Met47Thr | Descriptor: | RNA HELICASE | Authors: | Speroni, S, De Colibus, L, Coutard, B, Canard, B, Mattevi, A. | Deposit date: | 2007-07-18 | Release date: | 2008-03-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Biochemical Analysis of Kokobera Virus Helicase Proteins: Struct., Funct., Bioinf., 70, 2008
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3PUP
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![BU of 3pup by Molmil](/molmil-images/mine/3pup) | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | Authors: | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | Deposit date: | 2010-12-06 | Release date: | 2010-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors. J.Am.Chem.Soc., 133, 2011
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4EVZ
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![BU of 4evz by Molmil](/molmil-images/mine/4evz) | Structure of HisF-LUCA | Descriptor: | HYDROGENPHOSPHATE ION, HisF-LUCA | Authors: | Reisinger, B, Sperl, J, Rajendran, C, Merkl, R, Sterner, R. | Deposit date: | 2012-04-26 | Release date: | 2013-11-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.462 Å) | Cite: | Evidence for the existence of elaborate enzyme complexes in the Paleoarchean era. J.Am.Chem.Soc., 136, 2014
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1T6J
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![BU of 1t6j by Molmil](/molmil-images/mine/1t6j) | |
3ZCJ
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2XK3
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![BU of 2xk3 by Molmil](/molmil-images/mine/2xk3) | Structure of Nek2 bound to Aminopyrazine compound 35 | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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1YA5
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![BU of 1ya5 by Molmil](/molmil-images/mine/1ya5) | Crystal structure of the titin domains z1z2 in complex with telethonin | Descriptor: | N2B-TITIN ISOFORM, SULFATE ION, TELETHONIN | Authors: | Pinotsis, N, Popov, A, Zou, P, Wilmanns, M. | Deposit date: | 2004-12-17 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.445 Å) | Cite: | Palindromic assembly of the giant muscle protein titin in the sarcomeric Z-disk Nature, 439, 2006
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2XK4
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![BU of 2xk4 by Molmil](/molmil-images/mine/2xk4) | Structure of Nek2 bound to aminopyrazine compound 17 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
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3ZCI
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![BU of 3zci by Molmil](/molmil-images/mine/3zci) | |
4AFE
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![BU of 4afe by Molmil](/molmil-images/mine/4afe) | Nek2 bound to hybrid compound 21 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Yeoh, S, Innocenti, P, Hoelder, S, Bayliss, R. | Deposit date: | 2012-01-19 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity. J.Med.Chem., 55, 2012
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