7EO7
 
 | | Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24916625 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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7EO8
 | | Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin | | Descriptor: | 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase | | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2021-04-21 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2808516 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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7E8M
 | | Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ... | | Authors: | Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J. | | Deposit date: | 2021-03-02 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
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7DQZ
 | | Crystal structure of SARS 3C-like protease in apo form | | Descriptor: | 3C-like proteinase | | Authors: | Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J. | | Deposit date: | 2020-12-24 | | Release date: | 2021-09-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
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8TJL
 | | EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor | | Descriptor: | 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor | | Authors: | Beyett, T.S, Eck, M.J. | | Deposit date: | 2023-07-22 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
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7W2I
 | | Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shang, L, Zhang, G. | | Deposit date: | 2021-11-23 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the cytokinin-producing enzyme "lonely guy" (LOG) from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 598, 2022
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7FAE
 | | S protein of SARS-CoV-2 in complex bound with P36-5D2(state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ... | | Authors: | Zhang, L, Wang, X, Shan, S, Zhang, S. | | Deposit date: | 2021-07-06 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
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7FAF
 | | S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1) | | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein | | Authors: | Zhang, L, Wang, X, Zhang, S, Shan, S. | | Deposit date: | 2021-07-06 | | Release date: | 2021-12-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
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8I7X
 | | Crystal structure of human ClpP in complex with ZG36 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2023-02-02 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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7VT2
 | | Azumapecten Farreri ferritin | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Zhao, G, Zhang, C. | | Deposit date: | 2021-10-27 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural comparison between the DNA-protective ability of scallop and shrimp ferritin from iron-induced oxidative damage.
Food Chem, 386, 2022
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5TWY
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 2-(benzyloxy)-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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5TX3
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-({3-[(pyrrolidin-1-yl)methyl]phenyl}amino)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one, Maternal embryonic leucine zipper kinase | | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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5TWZ
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-Y, Dhe-Paganon, S. | | Deposit date: | 2016-11-15 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.631 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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5TWL
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase | | Authors: | Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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7D3D
 | | Crystal structure of SPOP bound with a peptide | | Descriptor: | GLU-VAL-SER-ILE-ILE-GLN-GLY-ALA-ASP-SER-THR-THR, GLYCEROL, Speckle-type POZ protein | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2020-09-18 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A peptide binder of E3 ligase adaptor SPOP disrupts oncogenic SPOP-protein interactions in kidney cancer cells.
Chin.J.Chem., 39, 2021
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7CRZ
 | | Crystal structure of human glucose transporter GLUT3 bound with C3361 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Solute carrier family 2, ... | | Authors: | Yuan, Y.Y, Zhang, S, Wang, N, Jiang, X, Yan, N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Orthosteric-allosteric dual inhibitors of PfHT1 as selective antimalarial agents.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5TWU
 | | Structure of Maternal Embryonic Leucine Zipper Kinase | | Descriptor: | Maternal embryonic leucine zipper kinase | | Authors: | Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J. | | Deposit date: | 2016-11-14 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
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7WCV
 | | Co-crystal structure of FTO bound to 6e | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.
J.Med.Chem., 65, 2022
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7WID
 | | Crystal structure of Staphylococcus aureus ClpP in complex with ZG180 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2022-01-03 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WGS
 | | Structure of ClpP from Staphylococcus aureus in complex with (S)-ZG197 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2021-12-28 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7WH5
 | | Crystal structure of human ClpP in complex with ZG180 | | Descriptor: | (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wei, B.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-12-29 | | Release date: | 2022-11-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
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7X77
 | | Ectodomain structure of per os infectivity factor 5 | | Descriptor: | Per os infectivity factor 5 | | Authors: | Cao, S, Li, Z, Fu, Y. | | Deposit date: | 2022-03-09 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Characterization of Per Os Infectivity Factor 5 (PIF5) Reveals the Essential Role of Intramolecular Interactions in Baculoviral Oral Infectivity.
J.Virol., 96, 2022
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7DAF
 | | IXA in complex with tubulin | | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wu, C, Wang, Y. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design.
Biochem.Biophys.Res.Commun., 534, 2021
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