7LSQ
 
 | |
7MFZ
 | |
7MFX
 | |
7MFY
 | |
7MK5
 | | Crystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid, ACETATE ION, ... | | Authors: | Culp, E.J, Sychantha, D, Hobson, C, Pawlowski, A.J, Prehna, G, Wright, G.D. | | Deposit date: | 2021-04-21 | | Release date: | 2022-02-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | ClpP inhibitors are produced by a widespread family of bacterial gene clusters.
Nat Microbiol, 7, 2022
|
|
7LX9
 | | T4 lysozyme mutant L99A | | Descriptor: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-03-03 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7N42
 | | Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681 | | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, DIMETHYL SULFOXIDE, ... | | Authors: | Karim, M.R, Schonbrunn, E. | | Deposit date: | 2021-06-03 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681
To Be Published
|
|
7MPH
 | | GRB2 SH2 Domain with Compound 7 | | Descriptor: | (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid, 1,2-ETHANEDIOL, Growth factor receptor-bound protein 2, ... | | Authors: | Sun, L, Schonbrunn, E. | | Deposit date: | 2021-05-04 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain.
Bioorg.Med.Chem.Lett., 51, 2021
|
|
7MTU
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221
To Be Published
|
|
7MTX
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176 | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-13 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P176
To Be Published
|
|
7MC9
 | | X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA | | Descriptor: | 3C-like proteinase, Ubiquitin, ZINC ION, ... | | Authors: | Durie, I.A, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.099 Å) | | Cite: | Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin
Acta Cryst. D, 77, 2021
|
|
7MGY
 | | Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine | | Descriptor: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Jayasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-04-13 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S.
Sci Rep, 11, 2021
|
|
7MLM
 | | Crystal structure of mouse TLR4/MD-2 in complex with sulfatides | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Su, L, Beutler, B. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Sulfatides are endogenous ligands for the TLR4-MD-2 complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7KP0
 | | CD1a-42:1 SM binary complex | | Descriptor: | (4R,7S)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphadotriacontan-1-aminium, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2020-11-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
|
|
7MXY
 | | Cryo-EM structure of PfFNT-inhibitor complex | | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | | Authors: | Yu, E.W, Su, C, Lyu, M. | | Deposit date: | 2021-05-19 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.18 Å) | | Cite: | Structural basis of transport and inhibition of the Plasmodium falciparum transporter PfFNT
EMBO Rep, 22, 2021
|
|
7N9D
 | |
7N3U
 | | Crystal structure of human WEE1 kinase domain in complex with ZN-c3 | | Descriptor: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase | | Authors: | Lee, C.C. | | Deposit date: | 2021-06-02 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of ZN-c3, a Highly Potent and Selective Wee1 Inhibitor Undergoing Evaluation in Clinical Trials for the Treatment of Cancer.
J.Med.Chem., 64, 2021
|
|
7YMK
 | | Estrogen Receptor Alpha Ligand Binding Domain C381S C417S Y537S Mutant in Complex with an Covalent Selective Estrogen Receptor Degrader 29c and GRIP Peptide | | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2022-07-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of novel covalent selective estrogen receptor degraders against endocrine-resistant breast cancer.
Acta Pharm Sin B, 13, 2023
|
|
7VIE
 | | Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B. | | Deposit date: | 2021-09-26 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.86 Å) | | Cite: | Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
8A0L
 | | Tubulin-CW1-complex | | Descriptor: | (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Diaz, J.F, Steinmetz, M.O, Oliva, M.A. | | Deposit date: | 2022-05-28 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9981 Å) | | Cite: | Chemical modulation of microtubule structure through the laulimalide/peloruside site.
Structure, 31, 2023
|
|
7W3U
 | | USP34 catalytic domain in complex with UbPA | | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION, ... | | Authors: | Xu, G.L, Ming, Z.H. | | Deposit date: | 2021-11-26 | | Release date: | 2022-06-01 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
|
|
7W54
 | | Crystal structure of a bacterial OTU DUB with Ub-PA | | Descriptor: | Lpg2248, Polyubiquitin-B, prop-2-en-1-amine | | Authors: | Zhen, X, Ouyang, S.Y. | | Deposit date: | 2021-11-29 | | Release date: | 2022-08-24 | | Last modified: | 2023-04-05 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural basis for the dual catalytic activity of the Legionella pneumophila ovarian tumor (OTU) domain deubiquitinase LotA.
J.Biol.Chem., 298, 2022
|
|
7ZJV
 | |
7W3Q
 | | Crystal structure of RORgamma in complex with natural inverse agonist | | Descriptor: | (3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methyl-2-oxidanyl-hept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, Nuclear receptor ROR-gamma, Peptide from Nuclear receptor coactivator 2 | | Authors: | Tian, S.Y, Li, Y. | | Deposit date: | 2021-11-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of RORgamma in complex with natural inverse agonist
To Be Published
|
|
8ARJ
 | | Anaplastic Lymphoma Kinase with a novel carboline inhibitor | | Descriptor: | 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one, ALK tyrosine kinase receptor | | Authors: | Mologni, L, Scapozza, L, Gambacorti-Passerini, C, Tardy, S, Goekjian, P, Robinson, C, Brown, D. | | Deposit date: | 2022-08-17 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.645 Å) | | Cite: | Discovery of Novel alpha-Carboline Inhibitors of the Anaplastic Lymphoma Kinase.
Acs Omega, 7, 2022
|
|
