6HK4
 
 | | Crystal structure of GSK-3B in complex with pyrazine inhibitor C22 | | Descriptor: | 3-azanyl-6-(4-morpholin-4-ylsulfonylphenyl)-~{N}-pyridin-3-yl-pyrazine-2-carboxamide, DIMETHYL SULFOXIDE, GLY-SER-HIS-GLY-HIS-HIS-HIS-HIS-HIS, ... | | Authors: | Piretti, V, Giabbai, B, Demitri, N, Di Martino, R, Tripathi, S.K, Gobbo, D, Decherchi, S, Storici, P, Girotto, S, Cavalli, A. | | Deposit date: | 2018-09-05 | | Release date: | 2019-07-17 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Investigating Drug-Target Residence Time in Kinases through Enhanced Sampling Simulations.
J Chem Theory Comput, 15, 2019
|
|
6HFN
 | |
4QI0
 | | X-ray structure of the ROQ domain from murine Roquin-1 | | Descriptor: | 1,2-ETHANEDIOL, Roquin-1 | | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | | Deposit date: | 2014-05-30 | | Release date: | 2014-07-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation.
Nat.Struct.Mol.Biol., 21, 2014
|
|
6HGF
 | | Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol | | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | | Authors: | Schmidt, K, Muller, Y.A. | | Deposit date: | 2018-08-23 | | Release date: | 2019-05-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
|
|
7JJ8
 | | Crystal structure of the Zn(II)-bound ZnuA-like domain of Streptococcus pneumoniae AdcA | | Descriptor: | ZINC ION, Zinc-binding lipoprotein AdcA | | Authors: | Luo, Z, More, J.R, Kobe, B, McDevitt, C.A. | | Deposit date: | 2020-07-24 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A Trap-Door Mechanism for Zinc Acquisition by Streptococcus pneumoniae AdcA.
Mbio, 12, 2021
|
|
6HGH
 | |
4XBC
 | | 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | | Deposit date: | 2014-12-16 | | Release date: | 2015-03-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58, 2015
|
|
6HH9
 | | Crystal structure of a two-domain esterase (CEX) active on acetylated mannans co-crystallized with mannopentaose | | Descriptor: | GDSL-like protein, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose | | Authors: | Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B. | | Deposit date: | 2018-08-27 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7TIH
 | | Structure of oxidized bovine cytochrome c oxidase with reduced metal centers induced by synchrotron X-ray exposure | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Ishigami, I, Rousseau, D.L, Yeh, S.-R, Russi, S, Cohen, A. | | Deposit date: | 2022-01-13 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Temperature-dependent structural transition following X-ray-induced metal center reduction in oxidized cytochrome c oxidase.
J.Biol.Chem., 298, 2022
|
|
4QJE
 | | 1.85 Angstrom resolution crystal structure of apo betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) with BME-free sulfinic acid form of Cys289 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine aldehyde dehydrogenase, ... | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-06-03 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
5FYI
 | | Crystal structure of human JMJD2A in complex with pyruvate | | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Nowak, R, Kopec, J, Johansson, C, Szykowska, A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | | Deposit date: | 2016-03-07 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Crystal Structure of Human Jmjd2A in Complex with Pyruvate
To be Published
|
|
6U7E
 | | HCoV-229E RBD Class III in complex with human APN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | | Authors: | Tomlinson, A.C.A, Li, Z, Rini, J.M. | | Deposit date: | 2019-09-02 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
|
|
6HNS
 | |
5FY5
 | | Crystal structure of the catalytic domain of human JARID1B in complex with fumarate | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ... | | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Fumarate
To be Published
|
|
6UHQ
 | | Crystal Structure of C148 mGFP-cDNA-3 | | Descriptor: | C148 mGFP-cDNA-3, UNKNOWN LIGAND | | Authors: | Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A. | | Deposit date: | 2019-09-27 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
|
|
5J72
 | | Cwp6 from Clostridium difficile | | Descriptor: | CALCIUM ION, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Renko, M, Usenik, A, Turk, D. | | Deposit date: | 2016-04-05 | | Release date: | 2017-02-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
|
|
6HFP
 | |
5FY4
 | | Crystal structure of the catalytic domain of human JARID1B in complex with succinate | | Descriptor: | 1,2-ETHANEDIOL, FUMARIC ACID, LYSINE-SPECIFIC DEMETHYLASE 5B, ... | | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Succinate
To be Published
|
|
6UBE
 | | Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL | | Descriptor: | AZIDE ION, GLYCEROL, Peptide LFRAL, ... | | Authors: | Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
|
|
3L0U
 | | The crystal structure of unmodified tRNAPhe from Escherichia coli | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, Unmodified tRNAPhe | | Authors: | Byrne, R.T, Konevega, A.L, Rodnina, M.V, Antson, A.A. | | Deposit date: | 2009-12-10 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of unmodified tRNAPhe from Escherichia coli
Nucleic Acids Res., 38, 2010
|
|
6XG6
 | | Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Heat shock protein 75 kDa, ... | | Authors: | Liu, Y.X, Wang, F, Agard, D.A. | | Deposit date: | 2020-06-17 | | Release date: | 2020-09-30 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | General and robust covalently linked graphene oxide affinity grids for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6HGI
 | |
4QNY
 | | Crystal structure of MapK from Leishmania donovani, LDBPK_331470 | | Descriptor: | GLYCEROL, MAGNESIUM ION, Mitogen activated protein kinase, ... | | Authors: | Wernimont, A.K, Loppnau, P, Walker, J.R, Mangos, M, El Bakkouri, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-06-18 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.257 Å) | | Cite: | Crystal structure of MapK from Leishmania donovani, LDBPK_331470
TO BE PUBLISHED
|
|
5JJW
 | | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | | Descriptor: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2016-07-06 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain
to be published
|
|
5FUN
 | | Crystal structure of human JARID1B in complex with GSK467 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | Deposit date: | 2016-01-28 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
|
|
