6UUF
| Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU | Descriptor: | Nudix Hydrolase, RenU | Authors: | Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B. | Deposit date: | 2019-10-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of RenU To Be Published
|
|
7S7T
| iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound | Descriptor: | IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | Deposit date: | 2021-09-17 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
|
|
6LYT
| |
8BDI
| VCB in complex with compound 32 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-3-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | Deposit date: | 2022-10-19 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.108 Å) | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design. Chemmedchem, 18, 2023
|
|
4QSX
| Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine | Descriptor: | 1,2-ETHANEDIOL, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, ATPase family AAA domain-containing protein 2, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
|
|
8E7D
| |
6MFL
| Structure of siderophore binding protein BauB bound to a complex between two molecules of acinetobactin and ferric iron. | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Siderophore Binding Protein BauB, ... | Authors: | Gulick, A.M, Bailey, D.C, Wencewicz, T.A. | Deposit date: | 2018-09-11 | Release date: | 2018-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Siderophore Binding Protein BauB Bound to an Unusual 2:1 Complex Between Acinetobactin and Ferric Iron. Biochemistry, 57, 2018
|
|
7S7U
| Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound | Descriptor: | iNicSnFR 3.0 Fluorescent Nicotine Sensor | Authors: | Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C. | Deposit date: | 2021-09-17 | Release date: | 2021-10-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands. Elife, 11, 2022
|
|
6VF0
| DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2020-01-03 | Release date: | 2021-09-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | DNA Polymerase Mu, 8-oxorGTP:At Reaction State Ternary Complex, 50 mM Mg2+ (30 min) To be published
|
|
5JW4
| Structure of MEDI8852 Fab Fragment in Complex with 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: | Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2016-05-11 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes. Cell, 166, 2016
|
|
4QU9
| Caspase-3 F128A | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | Deposit date: | 2014-07-10 | Release date: | 2014-11-05 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.561 Å) | Cite: | Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
|
|
4QUR
| Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and N-methyl proline in a new orientation | Descriptor: | 1-methyl-L-proline, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT HEXAMMINE(III), ... | Authors: | Agarwal, R, Andi, B, Gizzi, A, Bonanno, J.B, Almo, S.C, Orville, A.M. | Deposit date: | 2014-07-11 | Release date: | 2015-07-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | Tracking photoelectron induced in-crystallo enzyme catalysis To be Published
|
|
6VFB
| DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2020-01-03 | Release date: | 2021-09-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | DNA Polymerase Mu, 8-oxorGTP:Ct Reaction State Ternary Complex, 50 mM Mn2+ (960 min) To be published
|
|
8VL8
| |
6VFC
| DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2020-01-03 | Release date: | 2021-09-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | DNA Polymerase Mu, 8-oxorGTP:Ct Product State Ternary Complex, 50 mM Mn2+ (2160 min) To be published
|
|
8BHE
| K141H and S142H double mutant of hGSTA1-1 | Descriptor: | Glutathione S-transferase A1 | Authors: | Papageorgiou, A.C, Poudel, N. | Deposit date: | 2022-10-31 | Release date: | 2023-03-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A Key Role in Catalysis and Enzyme Thermostability of a Conserved Helix H5 Motif of Human Glutathione Transferase A1-1. Int J Mol Sci, 24, 2023
|
|
6VE9
| |
8H2C
| Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni | Descriptor: | MANGANESE (II) ION, Pseudaminic acid synthase | Authors: | Song, W.S, Park, M.A, Ki, D.U, Yoon, S.I. | Deposit date: | 2022-10-05 | Release date: | 2022-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural analysis of the pseudaminic acid synthase PseI from Campylobacter jejuni. Biochem.Biophys.Res.Commun., 635, 2022
|
|
6Y4G
| Crystal structure of the human METTL3-METTL14 complex bound to Sinefungin | Descriptor: | ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | Authors: | Bedi, R.K, Omori, E, Caflisch, A. | Deposit date: | 2020-02-20 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer. Chemmedchem, 15, 2020
|
|
8R9U
| A soakable crystal form of human CDK7 in complex with AMP-PNP | Descriptor: | 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7 | Authors: | Mukherjee, M, Cleasby, A. | Deposit date: | 2023-11-30 | Release date: | 2024-05-29 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design. Structure, 32, 2024
|
|
6VNA
| Pden_1323 | Descriptor: | Pyridoxamine 5'-phosphate oxidase-related, FMN-binding protein | Authors: | Isiorho, E.A, Mansoorabadi, S.O. | Deposit date: | 2020-01-29 | Release date: | 2021-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A noncanonical heme oxygenase specific for the degradation of c-type heme. J.Biol.Chem., 296, 2021
|
|
7AKN
| Thermolysin from Bacillus thermoproteolyticus | Descriptor: | CALCIUM ION, LYSINE, Thermolysin, ... | Authors: | Boikova, A.S, Ilina, K.B, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | Deposit date: | 2020-10-01 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Thermolysin from Bacillus thermoproteolyticus To Be Published
|
|
6EXM
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202) | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Grundstrom, C, Begum, A, Hall, M, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-11-08 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
|
|
4R85
| Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine | Descriptor: | 5-methylcytosine, Cytosine deaminase, FE (II) ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-08-29 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with 5-methylcytosine To be Published
|
|
6EUZ
| The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37) | Descriptor: | (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ... | Authors: | Begum, A, Hall, M, Grundstrom, C, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2017-10-31 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes. J. Med. Chem., 61, 2018
|
|