7KVX
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![BU of 7kvx by Molmil](/molmil-images/mine/7kvx) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1 | Descriptor: | (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R. | Deposit date: | 2020-11-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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7KVZ
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![BU of 7kvz by Molmil](/molmil-images/mine/7kvz) | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2 | Descriptor: | (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Skene, R.J. | Deposit date: | 2020-11-29 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route. J.Med.Chem., 64, 2021
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5WRO
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![BU of 5wro by Molmil](/molmil-images/mine/5wro) | Crystal structure of Drosophila enolase | Descriptor: | CADMIUM ION, CHLORIDE ION, COBALT (II) ION, ... | Authors: | Zhang, Z, Shi, Z. | Deposit date: | 2016-12-02 | Release date: | 2017-04-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.015 Å) | Cite: | Crystal structure of enolase from Drosophila melanogaster. Acta Crystallogr F Struct Biol Commun, 73, 2017
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7X4I
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![BU of 7x4i by Molmil](/molmil-images/mine/7x4i) | |
6E3E
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![BU of 6e3e by Molmil](/molmil-images/mine/6e3e) | Structure of RORgt in complex with a novel inverse agonist. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2018-07-13 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist. J.Med.Chem., 62, 2019
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6E3G
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![BU of 6e3g by Molmil](/molmil-images/mine/6e3g) | Structure of RORgt in complex with a novel agonist. | Descriptor: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2018-07-13 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist. J.Med.Chem., 62, 2019
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4HY4
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![BU of 4hy4 by Molmil](/molmil-images/mine/4hy4) | Crystal structure of cIAP1 BIR3 bound to T3170284 | Descriptor: | (3S,8aR)-2-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Dougan, D.R, Mol, C.D, Snell, G.P. | Deposit date: | 2012-11-12 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.249 Å) | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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4HY5
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![BU of 4hy5 by Molmil](/molmil-images/mine/4hy5) | Crystal structure of cIAP1 BIR3 bound to T3256336 | Descriptor: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Dougan, D.R, Snell, G.P. | Deposit date: | 2012-11-13 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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4HY0
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![BU of 4hy0 by Molmil](/molmil-images/mine/4hy0) | Crystal structure of XIAP BIR3 with T3256336 | Descriptor: | (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Snell, G.S, Dougan, D.R. | Deposit date: | 2012-11-12 | Release date: | 2013-01-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Design and Synthesis of Potent Inhibitor of Apoptosis (IAP) Proteins Antagonists Bearing an Octahydropyrrolo[1,2-a]pyrazine Scaffold as a Novel Proline Mimetic. J.Med.Chem., 56, 2013
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4LGE
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![BU of 4lge by Molmil](/molmil-images/mine/4lge) | Crystal structure of clAP1 BIR3 bound to T3261256 | Descriptor: | (4S,6aR,7aS)-5-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydro-1H-cyclopropa[4,5]pyrrolo[1,2-a]pyrazine-4-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Dougan, D.R. | Deposit date: | 2013-06-27 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. Bioorg.Med.Chem., 21, 2013
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4LGU
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![BU of 4lgu by Molmil](/molmil-images/mine/4lgu) | Crystal structure of clAP1 BIR3 bound to T3226692 | Descriptor: | (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION | Authors: | Dougan, D.R, Mol, C.D, Snell, G.P. | Deposit date: | 2013-06-28 | Release date: | 2013-08-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. Bioorg.Med.Chem., 21, 2013
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3CG7
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![BU of 3cg7 by Molmil](/molmil-images/mine/3cg7) | |
8HEW
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![BU of 8hew by Molmil](/molmil-images/mine/8hew) | Potato 14-3-3 St14f | Descriptor: | 14-3-3 protein, StFDL1 peptide | Authors: | Taoka, K, Kawahara, I, Shinya, S, Harada, K, Muranaka, T, Furuita, K, Nakagawa, A, Fujiwara, T, Tsuji, H, Kojima, C. | Deposit date: | 2022-11-08 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Multifunctional chemical inhibitors of the florigen activation complex discovered by structure-based high-throughput screening. Plant J., 112, 2022
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7TJE
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![BU of 7tje by Molmil](/molmil-images/mine/7tje) | Bacteriophage Q beta capsid protein A38K | Descriptor: | Minor capsid protein A1 | Authors: | Jin, X. | Deposit date: | 2022-01-16 | Release date: | 2023-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | Alternative Assembly of Q beta Virus-like Particles To Be Published
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7TJG
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7TJM
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![BU of 7tjm by Molmil](/molmil-images/mine/7tjm) | |
7TJD
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![BU of 7tjd by Molmil](/molmil-images/mine/7tjd) | |