7YUF
 
 | | apo human SPNS2 | | Descriptor: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | | Authors: | He, Y, Duan, Y. | | Deposit date: | 2022-08-17 | | Release date: | 2023-09-06 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
|
|
8UG2
 | | Crystal structure of de novo designed metal-controlled heterodimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G MCHeT_A + MCHeT_C | | Descriptor: | 1,2-ETHANEDIOL, Beta 1 domain of streptococcal protein G (G beta 1) MCHetA, Beta 1 domain of streptococcal protein G (G beta 1) MCHetC, ... | | Authors: | Mealka, M, Maniaci, B, Stec, B, Huxford, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Design of Protein Heterodimers Utilizing Metal-Ligand and
Salt-Bridge Interactions
To Be Published
|
|
8PIE
 | | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | | Deposit date: | 2023-06-21 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
|
|
7B4D
 | | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ | | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | | Deposit date: | 2020-12-02 | | Release date: | 2021-12-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
|
|
7B4N
 | | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II) | | Descriptor: | (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ... | | Authors: | Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z. | | Deposit date: | 2020-12-02 | | Release date: | 2021-12-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
|
|
7YTL
 | | Structure of a oxidoreductase in complex with quinone | | Descriptor: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE, UBIQUINONE-1 | | Authors: | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | | Deposit date: | 2022-08-15 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural insights into FSP1 catalysis and ferroptosis inhibition.
Nat Commun, 14, 2023
|
|
9B8D
 | | Structure of Legionella pneumophila Ceg10 | | Descriptor: | 1,2-ETHANEDIOL, Ceg10, PHOSPHATE ION | | Authors: | Tomchick, D.R, Heisler, D.B, Alto, N.M. | | Deposit date: | 2024-03-29 | | Release date: | 2024-04-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery.
Plos Pathog., 20, 2024
|
|
4RGX
 | | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid | | Descriptor: | 1,2-ETHANEDIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Joachimiak, G, Bigelow, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-09-30 | | Release date: | 2015-03-04 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal Structure of Putative MarR Family Transcriptional Regulator HcaR from Acinetobacter sp. ADP complexed with 3,4-dihydroxy bezoic acid
To be Published, 2014
|
|
1D46
 | | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN | | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | | Deposit date: | 1991-06-04 | | Release date: | 1992-04-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
|
|
8E6J
 | |
6Y4X
 | | Crystal structure of p38 in complex with SR72 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
|
|
5JNB
 | | structure of GLD-2/RNP-8 complex | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Poly(A) RNA polymerase gld-2, ... | | Authors: | Nakel, K, Bonneau, F, Basquin, C, Eckmann, C.R, Conti, E. | | Deposit date: | 2016-04-29 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.486 Å) | | Cite: | Structural basis for the antagonistic roles of RNP-8 and GLD-3 in GLD-2 poly(A)-polymerase activity.
Rna, 22, 2016
|
|
8US8
 | |
8DZZ
 | | Cryo-EM structure of chi dynein bound to Lis1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | | Authors: | Reimer, J.M, Lahiri, I, Leschziner, A.E. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-30 | | Last modified: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
|
|
8E6K
 | | 2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ... | | Authors: | Turner, H.L, Ozorowski, G, Ward, A.B. | | Deposit date: | 2022-08-22 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
|
|
9E31
 | | Discovery of Potent, Highly Selective and Efficacious SMARCA2 Degraders - Compound 6 | | Descriptor: | (12'R)-4'-chloro-9'-(piperidin-4-yl)-5'H-spiro[cyclohexane-1,7'-indolo[1,2-a]quinazolin]-5'-one, ACETATE ION, Isoform Short of Probable global transcription activator SNF2L2, ... | | Authors: | Strickland, C, Rice, C. | | Deposit date: | 2024-10-23 | | Release date: | 2024-12-18 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Potent, Highly Selective, and Efficacious SMARCA2 Degraders.
J.Med.Chem., 68, 2025
|
|
171L
 | |
5JF7
 | | Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor SMP289 | | Descriptor: | 2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide, ACETATE ION, IMIDAZOLE, ... | | Authors: | Fieulaine, S, Giglione, C, Meinnel, T, Hamiche, K. | | Deposit date: | 2016-04-19 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
|
|
8GET
 | | R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide | | Descriptor: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics.
Cell Host Microbe, 32, 2024
|
|
6Y8N
 | | Mycobacterium thermoresistibile GyrB21 in complex with Redx03863 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine, DNA gyrase subunit B, ... | | Authors: | Henderson, S.R, Stevenson, C.E.M, Malone, B, Zholnerovych, Y, Mitchenall, L.A, Pichowicz, M, McGarry, D.H, Cooper, I.R, Charrier, C, Salisbury, A, Lawson, D.M, Maxwell, A. | | Deposit date: | 2020-03-05 | | Release date: | 2020-08-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic analysis of ATPase inhibitors targeting mycobacterial DNA gyrase.
J.Antimicrob.Chemother., 75, 2020
|
|
6Y90
 | | Structure of full-length CD20 in complex with Rituximab Fab | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, B-lymphocyte antigen CD20, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kumar, A, Reyes, N. | | Deposit date: | 2020-03-06 | | Release date: | 2020-08-26 | | Last modified: | 2025-10-01 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Binding mechanisms of therapeutic antibodies to human CD20.
Science, 369, 2020
|
|
7SOD
 | |
8OYT
 | | Stabilised BA.1 SARS-CoV-2 spike with H6 nanobodies in '3 up' RBD conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, H6 nanobody, ... | | Authors: | Weckener, M, Naismith, J.H, Owens, R.J. | | Deposit date: | 2023-05-05 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural and functional characterization of nanobodies that neutralize Omicron variants of SARS-CoV-2.
Open Biology, 14, 2024
|
|
8SIO
 | | Crystal structure of PRMT3 with YD1-66 | | Descriptor: | 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of PRMT3 with YD1-66
To be published
|
|
6F49
 | | Periplasmic domain of LolC lacking the Hook. | | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, GLYCEROL, Lipoprotein-releasing system transmembrane protein LolC,Lipoprotein-releasing system transmembrane protein LolC | | Authors: | Kaplan, E. | | Deposit date: | 2017-11-29 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Insights into bacterial lipoprotein trafficking from a structure of LolA bound to the LolC periplasmic domain.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
