8WI3
| ND-hMRP5-inward open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
|
|
8WI4
| m6-hMRP5 inward open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
|
|
6LXT
| Structure of post fusion core of 2019-nCoV S2 subunit | Descriptor: | Spike protein S2, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Zhu, Y, Sun, F. | Deposit date: | 2020-02-11 | Release date: | 2020-02-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion. Cell Res., 30, 2020
|
|
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
|
|
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
|
|
6AKK
| Crystal structure of the second Coiled-coil domain of SIKE1 | Descriptor: | GLYCEROL, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
|
|
6AKL
| Crystal structure of Striatin3 in complex with SIKE1 Coiled-coil domain | Descriptor: | Striatin-3, Suppressor of IKBKE 1 | Authors: | Zhou, L, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
|
|
6AKM
| Crystal structure of SLMAP-SIKE1 complex | Descriptor: | GLYCEROL, Sarcolemmal membrane-associated protein, Suppressor of IKBKE 1 | Authors: | Ma, J, Chen, M, Zhou, Z.C. | Deposit date: | 2018-09-02 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Architecture, substructures, and dynamic assembly of STRIPAK complexes in Hippo signaling. Cell Discov, 5, 2019
|
|
5YF4
| A kinase complex MST4-MOB4 | Descriptor: | MOB-like protein phocein, Peptide from Serine/threonine-protein kinase 26, ZINC ION | Authors: | Chen, M, Zhou, Z.C. | Deposit date: | 2017-09-20 | Release date: | 2018-08-15 | Last modified: | 2018-09-26 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | The MST4-MOB4 complex disrupts the MST1-MOB1 complex in the Hippo-YAP pathway and plays a pro-oncogenic role in pancreatic cancer. J. Biol. Chem., 293, 2018
|
|
7W1M
| Cryo-EM structure of human cohesin-CTCF-DNA complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cohesin subunit SA-1, ... | Authors: | Shi, Z.B, Bai, X.C, Yu, H. | Deposit date: | 2021-11-19 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | CTCF and R-loops are boundaries of cohesin-mediated DNA looping. Mol.Cell, 83, 2023
|
|
7VFB
| the complex of SARS-CoV2 3cl and NB2B4 | Descriptor: | 3C-like proteinase, nb2b4 | Authors: | Geng, Y, Sun, Z.C, Wang, L. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7VFA
| the complex of SARS-CoV2 3CL and NB1A2 | Descriptor: | 3C-like proteinase, NB1A2, SULFATE ION | Authors: | Sun, Z.C, Wang, L, Geng, Y. | Deposit date: | 2021-09-11 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | An extended conformation of SARS-CoV-2 main protease reveals allosteric targets. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7X4I
| |
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
|
|
7TJG
| |
7TJM
| |
7TJD
| |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
9ETU
| Archaellum filament from the Halobacterium salinarum deltaAgl27 strain | Descriptor: | 3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | Authors: | Grossman-Haham, I, Shahar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility. Nat Commun, 15, 2024
|
|
9EQ7
| Halobacterium salinarum archaellum filament | Descriptor: | 2-O-sulfo-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | Authors: | Grossman-Haham, I, Shahar, A. | Deposit date: | 2024-03-21 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility. Nat Commun, 15, 2024
|
|