8SE6
 
 | | NKG2D complexed with inhibitor 36 | | Descriptor: | N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein, TETRAETHYLENE GLYCOL, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2023-04-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Development of small molecule inhibitors of natural killer group 2D receptor (NKG2D).
Bioorg.Med.Chem.Lett., 96, 2023
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6WSL
 | | Cryo-EM structure of VASH1-SVBP bound to microtubules | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Small vasohibin-binding protein, ... | | Authors: | Li, F, Li, Y, Yu, H. | | Deposit date: | 2020-05-01 | | Release date: | 2020-08-26 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structure of VASH1-SVBP bound to microtubules.
Elife, 9, 2020
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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
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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
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4FYP
 | | Crystal Structure of Plant Vegetative Storage Protein | | Descriptor: | MAGNESIUM ION, Vegetative storage protein 1 | | Authors: | Chen, Y, Wei, J, Wang, M, Gong, W, Zhang, M. | | Deposit date: | 2012-07-05 | | Release date: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of Arabidopsis VSP1 reveals the plant class C-like phosphatase structure of the DDDD superfamily of phosphohydrolases
Plos One, 7, 2012
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8EA9
 | | NKG2D complexed with inhibitor 4d | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA6
 | | NKG2D complexed with inhibitor 3e | | Descriptor: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA5
 | | NKG2D complexed with inhibitor 1a | | Descriptor: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA8
 | | NKG2D complexed with inhibitor 4a | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA7
 | | NKG2D complexed with inhibitor 3g | | Descriptor: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
 | | NKG2D complexed with inhibitor 4f | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-05-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAA
 | | NKG2D complexed with inhibitor 4e | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | | Deposit date: | 2022-08-28 | | Release date: | 2023-05-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
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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
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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
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7E6T
 | | Structural insights into the activation of human calcium-sensing receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYCLOMETHYLTRYPTOPHAN, ... | | Authors: | Geng, Y, Chen, X.C, Wang, L, Cui, Q.Q, Ding, Z.Y, Han, L, Kou, Y.J, Zhang, W.Q, Wang, H.N, Jia, X.M, Dai, M, Shi, Z.Z, Li, Y.Y, Li, X.Y. | | Deposit date: | 2021-02-24 | | Release date: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the activation of human calcium-sensing receptor.
Elife, 10, 2021
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7E6U
 | | the complex of inactive CaSR and NB2D11 | | Descriptor: | Extracellular calcium-sensing receptor, NB-2D11 | | Authors: | Geng, Y, Chen, X.C, Wang, L, Cui, Q.Q, Ding, Z.Y, Han, L, Kou, Y.J, Zhang, W.Q, Wang, H.N, Jia, X.M, Dai, M, Shi, Z.Z, Li, Y.Y, Li, X.Y. | | Deposit date: | 2021-02-24 | | Release date: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Structural insights into the activation of human calcium-sensing receptor.
Elife, 10, 2021
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7KW1
 | | Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 | | 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)oxy]-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 (1.8 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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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
 | | 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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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
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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
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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
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7X4I
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