8SI3
 
 | | Cryo-EM structure of TRPM7 in GDN detergent in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
4F1L
 | | Human Artd8 (Parp14, Bal2) - catalytic domain in complex with inhibitor A16(Z) | | Descriptor: | (2Z)-4-[(3-carbamoylphenyl)amino]-4-oxobut-2-enoic acid, NITRATE ION, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Andersson, C.D, Lindgren, A, Spjut, S, Thorsell, A.G, Ekblad, T, Weigelt, J, Elofsson, M, Linusson, A, Schuler, H. | | Deposit date: | 2012-05-07 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening.
J.Med.Chem., 55, 2012
|
|
8SI2
 | | Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
8SI8
 | | Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ... | | Authors: | Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | | Deposit date: | 2023-04-14 | | Release date: | 2023-05-17 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
|
|
1HSM
 | | THE STRUCTURE OF THE HMG BOX AND ITS INTERACTION WITH DNA | | Descriptor: | BETA-MERCAPTOETHANOL, HIGH MOBILITY GROUP PROTEIN 1 | | Authors: | Read, C.M, Cary, P.D, Crane-Robinson, C, Driscoll, P.C, Carillo, M.O.M, Norman, D.G. | | Deposit date: | 1994-11-17 | | Release date: | 1995-02-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The Structure of the Hmg Box and its Interaction with DNA
To be Published
|
|
8GA5
 | | CLC-ec1 L25C/A450C/C85A at pH 4.5 100mM Cl Intermediate | | Descriptor: | CHLORIDE ION, H(+)/Cl(-) exchange transporter ClcA | | Authors: | Fortea, E, Lee, S, Argyos, Y, Chadda, R, Ciftci, D, Huysmans, G, Robertson, J.L, Boudker, O, Accardi, A. | | Deposit date: | 2023-02-22 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural basis of pH-dependent activation in a CLC transporter.
Nat.Struct.Mol.Biol., 31, 2024
|
|
7RBT
 | | cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide | | Descriptor: | 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S. | | Deposit date: | 2021-07-06 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
1HZ2
 | | SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'-D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK | | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE | | Authors: | Dooley, P.A, Tsarouhtsis, D, Korbel, G.A, Nechev, L.V, Shearer, J, Zegar, I.S, Harris, C.M, Stone, M.P, Harris, T.M. | | Deposit date: | 2001-01-23 | | Release date: | 2001-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural studies of an oligodeoxynucleotide containing a trimethylene interstrand cross-link in a 5'-(CpG) motif: model of a malondialdehyde cross-link.
J.Am.Chem.Soc., 123, 2001
|
|
4W7A
 | | Crystal Structure of Full-Length Split GFP Mutant D21H/K26C Disulfide and Metal-Mediated Dimer, P 21 21 21 Space Group, Form 4 | | Descriptor: | COPPER (II) ION, fluorescent protein D21H/K26C | | Authors: | Leibly, D.J, Waldo, G.S, Yeates, T.O. | | Deposit date: | 2014-08-21 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.603 Å) | | Cite: | A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
|
|
5DJW
 | |
4EYY
 | | Crystal Structure of the IcmR-IcmQ complex from Legionella pneumophila | | Descriptor: | IcmQ, IcmR | | Authors: | Farelli, J.D, Gumbart, J, Akey, I.V, Amyot, W, Hempstead, A.D, Head, J.F, McKnight, C.J, Isberg, R.R, Akey, C.W. | | Deposit date: | 2012-05-02 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | IcmQ in the Type 4b secretion system contains an NAD+ binding domain.
Structure, 21, 2013
|
|
5DTL
 | |
6D9L
 | | Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair | | Descriptor: | DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-30 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
|
|
5W39
 | | Crystal structure of mutant CJ YCEI protein (CJ-N182C) with monobromobimane guest structure | | Descriptor: | 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, EICOSANE, Polyisoprenoid-binding protein, ... | | Authors: | Huber, T.R, Snow, C.D. | | Deposit date: | 2017-06-07 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Installing Guest Molecules at Specific Sites within Scaffold Protein Crystals.
Bioconjug. Chem., 29, 2018
|
|
8SLU
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
5DLH
 | | SFX structure of thermolysin | | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | | Authors: | DeMirci, H.D, Sauter, N.K, Brewster, A.S, Kern, J. | | Deposit date: | 2015-09-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2501 Å) | | Cite: | Serial Femtosecond Crystallography of Ribosome-Antibiotic and Photosystem II Complexes at Ambient Temperature using a Concentric Electrospinning Injector.
To Be Published
|
|
8SLT
 | | Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa) | | Descriptor: | SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
8SLS
 | | Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa) | | Descriptor: | GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5 | | Authors: | Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A. | | Deposit date: | 2023-04-24 | | Release date: | 2023-06-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
|
|
4F1U
 | | Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5 | | Descriptor: | 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ... | | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | | Deposit date: | 2012-05-07 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments.
Nature, 491, 2012
|
|
5KKS
 | | ROCK 1 bound to azaindole thiazole inhibitor | | Descriptor: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2016-06-22 | | Release date: | 2017-06-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors
Bioorg.Med.Chem.Lett., 2018
|
|
5W6M
 | |
5KO3
 | |
5DZQ
 | | C3larvin toxin, an ADP-ribosyltransferase from Paenibacillus larvae, Orthorhombic Form | | Descriptor: | GLYCEROL, MAGNESIUM ION, Toxin-like protein | | Authors: | Dutta, D, Ravulapalli, R, Merrill, A.R. | | Deposit date: | 2015-09-26 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural variability of C3larvin toxin. Intrinsic dynamics of the alpha / beta fold of the C3-like group of mono-ADP-ribosyltransferase toxins.
J. Biomol. Struct. Dyn., 34, 2016
|
|
3KVI
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42A mutant in complex with fluoro-acetate | | Descriptor: | Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
|
|
5E12
 | |
