4LMN
 
 | | Crystal Structure of MEK1 kinase bound to GDC0973 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Ultsch, M.H. | | Deposit date: | 2013-07-10 | | Release date: | 2013-08-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mechanism of MEK inhibition determines efficacy in mutant KRAS- versus BRAF-driven cancers.
Nature, 501, 2013
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8HLG
 | | Crystal structure of MoaE | | Descriptor: | Molybdenum cofactor biosynthesis protein D/E, SULFATE ION | | Authors: | Cai, J, Zhao, Y. | | Deposit date: | 2022-11-30 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MoaE Is Involved in Response to Oxidative Stress in Deinococcus radiodurans.
Int J Mol Sci, 24, 2023
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8HEY
 | | One CVSC-binding penton vertex in HCMV B-capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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8HEX
 | | C5 portal vertex in HCMV B-capsid | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | | Authors: | Li, Z, Yu, X. | | Deposit date: | 2022-11-08 | | Release date: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
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5H14
 | | EED in complex with an allosteric PRC2 inhibitor EED666 | | Descriptor: | 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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5H15
 | | EED in complex with PRC2 allosteric inhibitor EED709 | | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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6SBA
 | | Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic | | Descriptor: | ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ... | | Authors: | Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R. | | Deposit date: | 2019-07-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
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5ELX
 | | S. cerevisiae Dbp5 bound to RNA and mant-ADP BeF3 | | Descriptor: | ATP-dependent RNA helicase DBP5, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Merchant, M.K, Modis, Y. | | Deposit date: | 2015-11-05 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Pi Release Limits the Intrinsic and RNA-Stimulated ATPase Cycles of DEAD-Box Protein 5 (Dbp5).
J.Mol.Biol., 428, 2016
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5H17
 | | EED in complex with PRC2 allosteric inhibitor EED210 | | Descriptor: | (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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8CCU
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1 | | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate | | Authors: | Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
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8CC2
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A | | Descriptor: | Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ... | | Authors: | Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H. | | Deposit date: | 2023-01-26 | | Release date: | 2024-02-07 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
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5LJN
 | | Structure of the HOIP PUB domain bound to SPATA2 PIM peptide | | Descriptor: | E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ... | | Authors: | Elliott, P.R, Komander, D. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
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4OQS
 | | Crystal structure of CYP105AS1 | | Descriptor: | CYP105AS1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Leys, D. | | Deposit date: | 2014-02-10 | | Release date: | 2015-02-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6LXC
 | | X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding | | Descriptor: | (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha | | Authors: | Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I. | | Deposit date: | 2020-02-10 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
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7AR4
 | | Crystal structure of beta-catenin in complex with cyclic peptide inhibitor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cadherin-1, ... | | Authors: | Wendt, M, Pearce, N.M, Grossmann, T.N, Hennig, S. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bicyclic beta-Sheet Mimetics that Target the Transcriptional Coactivator beta-Catenin and Inhibit Wnt Signaling.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4RZ2
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5YEG
 | | Crystal structure of CTCF ZFs4-8-Hs5-1a complex | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*TP*AP*AP*CP*CP*AP*GP*CP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*GP*CP*TP*GP*GP*TP*TP*AP*AP*AP*G)-3'), Transcriptional repressor CTCF, ... | | Authors: | Yin, M, Wang, J, Wang, M, Li, X. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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5YQX
 | | Crystal Structure Analysis of the BRD4 | | Descriptor: | (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Xue, X, Zhang, Y, Wang, C, Song, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-11-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
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6V9T
 | | Tudor domain of TDRD3 in complex with a small molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-16 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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5YEL
 | | Crystal structure of CTCF ZFs6-11-gb7CSE | | Descriptor: | DNA (26-MER), Transcriptional repressor CTCF, ZINC ION | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-18 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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6TG8
 | | Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop) | | Descriptor: | Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN | | Authors: | Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D. | | Deposit date: | 2019-11-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process.
J.Biomol.Struct.Dyn., 39, 2021
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4RZ3
 | | Crystal structure of the MinD-like ATPase FlhG | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Site-determining protein | | Authors: | Schuhmacher, J.S, Bange, G. | | Deposit date: | 2014-12-18 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MinD-like ATPase FlhG effects location and number of bacterial flagella during C-ring assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5YEH
 | | Crystal structure of CTCF ZFs4-8-eCBS | | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ... | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.328 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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4OQR
 | | Structure of a CYP105AS1 mutant in complex with compactin | | Descriptor: | CYP105AS1, Mevastatin, Compactin, ... | | Authors: | Leys, D. | | Deposit date: | 2014-02-10 | | Release date: | 2015-02-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4ZPE
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