4C6W
 
 | | Crystal structure of M. tuberculosis C171Q KasA | | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-09-19 | | Release date: | 2013-10-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
|
|
7JUA
 | |
7JTJ
 | |
3ZLY
 | | Crystal structure of MEK1 in complex with fragment 8 | | Descriptor: | 3-AMINO-1H-INDAZOLE-4-CARBONITRILE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, SODIUM ION | | Authors: | Amaning, K, Lowinsky, M, Vallee, F, Steier, V, Marcireau, C, Ugolini, A, Delorme, C, McCort, G, Andouche, C, Vougier, S, Llopart, S, Halland, N, Rak, A. | | Deposit date: | 2013-02-04 | | Release date: | 2013-05-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Use of Virtual Screening and Differential Scanning Fluorimetry for the Rapid Identification of Fragments Active Against Mek1.
Bioorg.Med.Chem.Lett., 23, 2013
|
|
7JTO
 | | Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and pVHL:ElonginC:ElonginB | | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide, Elongin-B, ... | | Authors: | Kottur, J, Jain, R, Aggarwal, A.K. | | Deposit date: | 2020-08-18 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A selective WDR5 degrader inhibits acute myeloid leukemia in patient-derived mouse models.
Sci Transl Med, 13, 2021
|
|
7JXA
 | | CRYSTAL STRUCTURE OF NATIVE BOVINE ARRESTIN 1 IN COMPLEX WITH INOSITOL 1,4,5-TRIPHOSPHATE | | Descriptor: | 2-ETHOXYETHANOL, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, S-arrestin, ... | | Authors: | Sander, C.L, Palczewski, K, Kiser, P.D. | | Deposit date: | 2020-08-26 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural evidence for visual arrestin priming via complexation of phosphoinositols.
Structure, 30, 2022
|
|
3ZU2
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH (SIRAS) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, SODIUM ION | | Authors: | Hirschbeck, M.W, Kuper, J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
|
|
7K5V
 | | OXA-48 bound by Compound 3.1 | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Taylor, D.M, Hu, L, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2020-09-17 | | Release date: | 2021-12-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unique Diacidic Fragments Inhibit the OXA-48 Carbapenemase and Enhance the Killing of Escherichia coli Producing OXA-48.
Acs Infect Dis., 7, 2021
|
|
3ZDU
 | | Crystal structure of the human CDKL3 kinase domain | | Descriptor: | 1,2-ETHANEDIOL, CYCLIN-DEPENDENT KINASE-LIKE 3, SODIUM ION, ... | | Authors: | Canning, P, Elkins, J.M, Goubin, S, Mahajan, P, Pike, A.C.W, Quigley, A, MacKenzie, A, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2012-11-30 | | Release date: | 2013-03-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
|
|
7KGT
 | | Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234 | | Descriptor: | ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ... | | Authors: | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | Deposit date: | 2020-10-18 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
|
|
3QVS
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild type | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-25 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
|
|
4BV3
 | | CRYSTAL STRUCTURE OF SIRT3 IN COMPLEX WITH THE INHIBITOR EX-527 AND NAD | | Descriptor: | (1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide, ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, ... | | Authors: | Gertz, M, Nguyen, N.T.T, Weyand, M, Steegborn, C. | | Deposit date: | 2013-06-24 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Ex-527 Inhibits Sirtuins by Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4BXW
 | | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis | | Descriptor: | COAGULATION FACTOR V, FACTOR XA, GLYCEROL, ... | | Authors: | Lechtenberg, B.C, Murray-Rust, T.A, Johnson, D.J.D, Adams, T.E, Krishnaswamy, S, Camire, R.M, Huntington, J.A. | | Deposit date: | 2013-07-16 | | Release date: | 2013-07-31 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal Structure of the Prothrombinase Complex from the Venom of Pseudonaja Textilis.
Blood, 122, 2013
|
|
3QVI
 | | Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2011-02-25 | | Release date: | 2011-10-12 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the activation and inhibition of histo-aspartic protease from Plasmodium falciparum.
Biochemistry, 50, 2011
|
|
4CBX
 | | Crystal structure of Plasmodium berghei actin II | | Descriptor: | ACTIN-2, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Vahokoski, J, Bhargav, S.P, Desfosses, A, Andreadaki, M, Kumpula, E.P, Ignatev, A, Munico Martinez, S, Lepper, S, Frischknecht, F, Siden-Kiamos, I, Sachse, C, Kursula, I. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Differences Explain Diverse Functions of Plasmodium Actins.
Plos Pathog., 10, 2014
|
|
4CCG
 | | Structure of an E2-E3 complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AMMONIUM ION, CHLORIDE ION, ... | | Authors: | Hodson, C, Purkiss, A, Walden, H. | | Deposit date: | 2013-10-22 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Human Fancl Ring-Ube2T Complex Reveals Determinants of Cognate E3-E2 Selection.
Structure, 22, 2014
|
|
3O1X
 | | High resolution crystal structure of histidine triad nucleotide-binding protein 1 (Hint1) C84A mutant from rabbit complexed with adenosine | | Descriptor: | ADENOSINE, Histidine triad nucleotide-binding protein 1, SODIUM ION | | Authors: | Dolot, R.M, Ozga, M, Krakowiak, A.K, Nawrot, B, Stec, W.J. | | Deposit date: | 2010-07-22 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates.
J.Biol.Chem., 285, 2010
|
|
4CCS
 | | The structure of CbiX, the terminal Enzyme for Biosynthesis of Siroheme in Denitrifying Bacteria | | Descriptor: | 1,2-ETHANEDIOL, CBIX, D-MALATE, ... | | Authors: | Bali, S, Rollauer, S.E, Roversi, P, Raux-Deery, E, Lea, S.M, Warren, M.J, Ferguson, S.J. | | Deposit date: | 2013-10-25 | | Release date: | 2014-04-09 | | Last modified: | 2015-09-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Identification and Characterization of the 'Missing' Terminal Enzyme for Siroheme Biosynthesis in Alpha-Proteobacteria.
Mol.Microbiol., 92, 2014
|
|
4BRG
 | | Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG GMPPNP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... | | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | | Deposit date: | 2013-06-04 | | Release date: | 2013-07-17 | | Last modified: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases
Structure, 21, 2013
|
|
4C44
 | | Crystal Structure of Truncated Plant Hemoglobin from Arabidopsis thaliana | | Descriptor: | 2-ON-2 HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | | Authors: | Mukhi, N, Dhindwal, S, Kumar, P, Kaur, J, Kundu, S. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | X-Ray Crystallographic Structural Characteristics of Truncated Hemoglobin from Arabidopsis Thaliana
To be Published
|
|
3O65
 | | Crystal structure of a Josephin-ubiquitin complex: Evolutionary restraints on ataxin-3 deubiquitinating activity | | Descriptor: | Putative ataxin-3-like protein, SODIUM ION, Ubiquitin | | Authors: | Weeks, S.D, Grasty, K.C, Hernandez-Cuebas, L, Loll, P.J. | | Deposit date: | 2010-07-28 | | Release date: | 2010-11-24 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structure of a Josephin-Ubiquitin Complex: EVOLUTIONARY RESTRAINTS ON ATAXIN-3 DEUBIQUITINATING ACTIVITY.
J.Biol.Chem., 286, 2011
|
|
3QSR
 | |
3QVW
 | | L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A | | Descriptor: | GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Neelon, K, Roberts, M.F, Stec, B. | | Deposit date: | 2011-02-26 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
|
|
3QXW
 | | Free structure of an anti-methotrexate CDR1-4 Graft VHH Antibody | | Descriptor: | Anti-Methotrexate CDR1-4 Graft VHH, SODIUM ION, SULFATE ION | | Authors: | Fanning, S.W, Horn, J.R. | | Deposit date: | 2011-03-02 | | Release date: | 2011-07-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An anti-hapten camelid antibody reveals a cryptic binding site with significant energetic contributions from a nonhypervariable loop.
Protein Sci., 20, 2011
|
|
3R4T
 | |
