6TG1
 
 | | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-11-14 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
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6TF0
 | | Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Nicotinamide adenine dinucleotide, reduced (NADH) | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Chains: A, MAGNESIUM ION, ... | | Authors: | Huang, L, Lilley, D.M.J. | | Deposit date: | 2019-11-12 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch.
Rna, 26, 2020
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3N79
 | | PduT C38S Mutant from Salmonella enterica Typhimurium | | Descriptor: | CHLORIDE ION, PduT, SODIUM ION, ... | | Authors: | Crowley, C.S, Cascio, D, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2010-05-26 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insight into the Mechanisms of Transport across the Salmonella enterica Pdu Microcompartment Shell.
J.Biol.Chem., 285, 2010
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6T5X
 | | Crystal structure of Salmonella typhimurium FabG in complex with NADPH at 1.5 A resolution | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] reductase FabG, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vella, P, Schnell, R, Schneider, G. | | Deposit date: | 2019-10-17 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
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6T81
 | | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | | Descriptor: | AZIDE ION, BICINE, SODIUM ION, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2019-10-23 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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3ND3
 | | Uhelix 16-mer dsRNA | | Descriptor: | 5'-R(*AP*GP*AP*GP*AP*AP*GP*AP*UP*UP*UP*UP*UP*UP*UP*U)-3', POTASSIUM ION, SODIUM ION | | Authors: | Mooers, B.H, Singh, A. | | Deposit date: | 2010-06-07 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | The crystal structure of an oligo(U):pre-mRNA duplex from a trypanosome RNA editing substrate.
Rna, 17, 2011
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4W82
 | | Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase | | Descriptor: | CHLORIDE ION, Fatty acid synthase, MAGNESIUM ION, ... | | Authors: | Sippel, K.H, Vyas, N.K, Sankaran, B, Quiocho, F.A. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the human Fatty Acid synthase enoyl-acyl carrier protein-reductase domain complexed with triclosan reveals allosteric protein-protein interface inhibition.
J.Biol.Chem., 289, 2014
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6T96
 | | Photorhabdus laumondii subsp. laumondii lectin PLL3 | | Descriptor: | Lectin PLL3, SODIUM ION | | Authors: | Melicher, F, Houser, J, Fujdiarova, E, Faltinek, L, Wimmerova, M. | | Deposit date: | 2019-10-26 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family.
Molecules, 24, 2019
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4US7
 | | Sulfur SAD Phased Structure of a Type IV Pilus Protein from Shewanella oneidensis | | Descriptor: | PILD PROCESSED PROTEIN, SODIUM ION, SULFATE ION | | Authors: | Gorgel, M, Boeggild, A, Ulstrup, J.J, Mueller, U, Weiss, M, Nissen, P, Boesen, T. | | Deposit date: | 2014-07-03 | | Release date: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis.
Bmc Struct.Biol., 15, 2015
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5B1U
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-12-20 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
To be published
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6TQQ
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4W78
 | | Crystal structure of the ChsH1-ChsH2 complex from Mycobacterium tuberculosis | | Descriptor: | CADMIUM ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Guja, K.E, Yang, M, Sampson, N, Garcia-Diaz, M. | | Deposit date: | 2014-08-21 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.541 Å) | | Cite: | A Distinct MaoC-like Enoyl-CoA Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
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3NDT
 | | HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure | | Descriptor: | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Geremia, S, Olajuyigbe, F.M, Demitri, N. | | Deposit date: | 2010-06-08 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Investigation of 2-Fold Disorder of Inhibitors and Relative Potency by Crystallizations of HIV-1 Protease in Ritonavir and Saquinavir Mixtures
Cryst.Growth Des., 11, 2011
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6T6H
 | | Apo structure of the Bottromycin epimerase BotH | | Descriptor: | BotH, SODIUM ION, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2019-10-18 | | Release date: | 2020-07-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
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6TBN
 | | Crystal structure of CIAO1-CIAO2B CIA core complex | | Descriptor: | MIP18 family protein galla-2, Probable cytosolic iron-sulfur protein assembly protein Ciao1, SODIUM ION | | Authors: | Kassube, S.A, Thoma, N.H. | | Deposit date: | 2019-11-01 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into Fe-S protein biogenesis by the CIA targeting complex.
Nat.Struct.Mol.Biol., 27, 2020
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6T46
 | | Structure of the Rap conjugation gene regulator of the plasmid pLS20 in complex with the Phr* peptide | | Descriptor: | CHLORIDE ION, Quorum-sensing secretion protein (processed), Response regulator aspartate phosphatase, ... | | Authors: | Crespo, I, Bernardo, N, Meijer, W.J.J, Boer, D.R. | | Deposit date: | 2019-10-12 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Inactivation of the dimeric RappLS20 anti-repressor of the conjugation operon is mediated by peptide-induced tetramerization.
Nucleic Acids Res., 48, 2020
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6TDP
 | | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket. | | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | | Deposit date: | 2019-11-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection.
Nat Commun, 11, 2020
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6TF2
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4UWU
 | | Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7) | | Descriptor: | CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ... | | Authors: | Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T. | | Deposit date: | 2014-08-14 | | Release date: | 2014-12-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
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4USZ
 | | Crystal structure of the first bacterial vanadium dependant iodoperoxidase | | Descriptor: | SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE | | Authors: | Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C. | | Deposit date: | 2014-07-17 | | Release date: | 2014-10-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
Appl.Environ.Microbiol., 80, 2014
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4USW
 | | Crystal structure of human soluble Adenylyl Cyclase with ATP | | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ... | | Authors: | Kleinboelting, S, Steegborn, C. | | Deposit date: | 2014-07-13 | | Release date: | 2014-07-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
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3NAM
 | | SR Ca(2+)-ATPase in the HnE2 state complexed with the Thapsigargin derivative dOTg | | Descriptor: | (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate, MAGNESIUM ION, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Winther, A.M.L, Sonntag, Y, Olesen, C, Moller, J.V, Nissen, P. | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Critical roles of hydrophobicity and orientation of side chains for inactivation of sarcoplasmic reticulum Ca2+-ATPase with thapsigargin and thapsigargin analogs
J.Biol.Chem., 285, 2010
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6TI1
 | | SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/L-Threonine/Lys230 gem diamine complex | | Descriptor: | GLYCEROL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, SODIUM ION, ... | | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | | Deposit date: | 2019-11-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus
To Be Published
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4MPY
 | | 1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+ | | Descriptor: | Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-14 | | Release date: | 2013-10-09 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
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7QRU
 | | Structure of Bacillus pseudofirmus Mrp antiporter complex, monomer | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Na(+)/H(+) antiporter subunit B, Na(+)/H(+) antiporter subunit C, ... | | Authors: | Lee, Y. | | Deposit date: | 2022-01-12 | | Release date: | 2022-11-09 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | Ion transfer mechanisms in Mrp-type antiporters from high resolution cryoEM and molecular dynamics simulations.
Nat Commun, 13, 2022
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