8TOW
 
 | | Structure of a mutated photosystem II complex reveals perturbation of the oxygen-evolving complex | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Flesher, D.A, Liu, J, Wang, J, Gisriel, C.J, Yang, K.R, Batista, V.S, Debus, R.J, Brudvig, G.W. | | Deposit date: | 2023-08-04 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels.
J.Biol.Chem., 300, 2024
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1A9M
 | | G48H MUTANT OF HIV-1 PROTEASE IN COMPLEX WITH A PEPTIDIC INHIBITOR U-89360E | | Descriptor: | HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE | | Authors: | Hong, L, Zhang, X.-J, Foundling, S, Hartsuck, J.A, Tang, J. | | Deposit date: | 1998-04-08 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a G48H mutant of HIV-1 protease explains how glycine-48 replacements produce mutants resistant to inhibitor drugs.
FEBS Lett., 420, 1997
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8J85
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 mutant S88E in complex with ochratoxin A | | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-04-30 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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5HBY
 | | RNA primer-template complex with 2-methylimidazole-activated monomer analogue-3 binding sites | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*C)-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid | | Authors: | Zhang, W, Tam, C.P, Wang, J, Szostak, J.W. | | Deposit date: | 2016-01-03 | | Release date: | 2016-12-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes.
ACS Cent Sci, 2, 2016
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8IZE
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP | | Descriptor: | Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate | | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2023-04-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8IXV
 | | Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2023-04-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8IZG
 | | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T. | | Deposit date: | 2023-04-07 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JAD
 | | Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17 | | Descriptor: | BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ... | | Authors: | Zhang, B, Liang, J, Rao, Z. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7TUL
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7TUK
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4GAZ
 | | Crystal Structure of a Jumonji Domain-containing Protein JMJD5 | | Descriptor: | Lysine-specific demethylase 8, N-OXALYLGLYCINE, NICKEL (II) ION | | Authors: | Wang, H, Zhou, X, Zhang, X, Tao, Y, Chen, N, Zang, J. | | Deposit date: | 2012-07-26 | | Release date: | 2013-08-14 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal Structure of a Jumonji Domain-containing Protein JMJD5
To be Published
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6DF6
 | | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | | Deposit date: | 2018-05-14 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019
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1XMA
 | | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833
To be published
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8XAS
 | | Crystal structure of AtARR1-DBD in complex with a DNA fragment | | Descriptor: | DNA (50-MER), Two-component response regulator ARR1 | | Authors: | Li, J.X, Zhou, C.M, zhang, P, Wang, J.W. | | Deposit date: | 2023-12-05 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.346 Å) | | Cite: | The structure of B-ARR reveals the molecular basis of transcriptional activation by cytokinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8D4P
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8FTL
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | | Deposit date: | 2023-01-12 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1
To Be Published
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4WWN
 | | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | | Descriptor: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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4WWO
 | | Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2014-11-11 | | Release date: | 2014-12-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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7XHO
 | | Structure of human inner kinetochore CCAN complex | | Descriptor: | CENP-W, Centromere protein C, Centromere protein H, ... | | Authors: | Tian, T, Wang, C.L, Yang, Z.S, Sun, L.F, Zang, J.Y. | | Deposit date: | 2022-04-09 | | Release date: | 2022-12-14 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural insights into human CCAN complex assembled onto DNA.
Cell Discov, 8, 2022
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8JC6
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6KYV
 | | Crystal Structure of RIG-I and hairpin RNA with G-U wobble base pairs | | Descriptor: | Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*GP*GP*UP*AP*GP*AP*CP*GP*CP*UP*UP*CP*GP*GP*CP*GP*UP*UP*UP*GP*CP*C)-3'), ZINC ION | | Authors: | Kim, K.-H, Hwang, J, Kim, J.H, Son, K.-P, Jang, Y, Kim, M, Kang, S.-J, Lee, J.-O, Choi, B.-S. | | Deposit date: | 2019-09-20 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and biophysical properties of RIG-I bound to dsRNA with G-U wobble base pairs.
Rna Biol., 17, 2020
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4RSY
 | | Crystal structures of the Human leukotriene A4 Hydrolase complex with a potential inhibitor H7 | | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, ACETIC ACID, IMIDAZOLE, ... | | Authors: | Ouyang, P, Lu, W, Cui, K, Huang, J. | | Deposit date: | 2014-11-12 | | Release date: | 2015-12-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of Human Leukotriene A4 Hydrolase in complex with inhibitor H1
To be Published
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4KW1
 | | Structure of a/egypt/n03072/2010 h5 ha | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Shore, D.A, Yang, H, Carney, P.J, Chang, J.C, Stevens, J. | | Deposit date: | 2013-05-23 | | Release date: | 2014-06-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and antigenic variation among diverse clade 2 H5N1 viruses.
Plos One, 8, 2013
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3MQB
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5V9U
 | | Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C | | Descriptor: | (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ... | | Authors: | Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y. | | Deposit date: | 2017-03-23 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
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