6I0J
 
 | | Crystal structure of human carbonic anhydrase I in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor | | Descriptor: | ACETATE ION, Carbonic anhydrase 1, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2018-10-26 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Eur.J.Med.Chem., 182, 2019
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8R1O
 | | Structure of C. thermophilum RNA exosome core | | Descriptor: | Exoribonuclease phosphorolytic domain-containing protein, Exoribonuclease-like protein, Exosome complex component MTR3, ... | | Authors: | Lazzaretti, D, Liebau, J, Pilsl, M, Sprangers, R. | | Deposit date: | 2023-11-02 | | Release date: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Beyond static structures: quantitative dynamics in the eukaryotic RNA exosome complex
Biorxiv, 2024
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4K7T
 | | Structure of the ternary complex of bacitracin, zinc, and geranyl-pyrophosphate | | Descriptor: | GERANYL DIPHOSPHATE, SODIUM ION, ZINC ION, ... | | Authors: | Economou, N.J, Loll, P.J. | | Deposit date: | 2013-04-17 | | Release date: | 2013-08-14 | | Last modified: | 2013-10-16 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | High-resolution crystal structure reveals molecular details of target recognition by bacitracin.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7COQ
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2V9T
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8DT4
 | | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4) | | Descriptor: | 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | Deposit date: | 2022-07-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
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2H9E
 | | Crystal Structure of FXa/selectide/NAPC2 ternary complex | | Descriptor: | ACETATE ION, Anti-coagulant protein C2, Coagulation factor X heavy chain, ... | | Authors: | Murakami, M.T, Geiger, G, Tulinsky, A, Arni, R.K. | | Deposit date: | 2006-06-09 | | Release date: | 2007-02-13 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Intermolecular Interactions and Characterization of the Novel Factor Xa Exosite Involved in Macromolecular Recognition and Inhibition: Crystal Structure of Human Gla-domainless Factor Xa Complexed with the Anticoagulant Protein NAPc2 from the Hematophagous Nematode Ancylostoma caninum.
J.Mol.Biol., 366, 2007
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4E3S
 | | RB69 DNA Polymerase Ternary Complex with dQTP Opposite dT | | Descriptor: | 3-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine, CALCIUM ION, DNA polymerase, ... | | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | | Deposit date: | 2012-03-10 | | Release date: | 2012-05-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Probing minor groove hydrogen bonding interactions between RB69 DNA polymerase and DNA.
Biochemistry, 51, 2012
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8DT5
 | | X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B) | | Descriptor: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ... | | Authors: | Kovalevsky, A.Y, Gerlits, O, Radic, Z. | | Deposit date: | 2022-07-25 | | Release date: | 2022-11-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
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1RTZ
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8DYN
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7XAM
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3VEQ
 | | A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3 | | Authors: | Sen, U, Majumder, S, Khamrui, S, Dasgupta, J. | | Deposit date: | 2012-01-09 | | Release date: | 2012-10-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
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1O9Y
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7DKH
 | | Crystal structure of the Ctr9/Paf1/Cdc73/Rtf1 quaternary complex | | Descriptor: | Cell division control protein 73, RNA polymerase II-associated protein 1, RNA polymerase-associated protein CTR9, ... | | Authors: | Chen, F.L, Liu, B.B, Guo, L, Li, D.F, Zhou, H, Long, J.F. | | Deposit date: | 2020-11-24 | | Release date: | 2021-11-24 | | Last modified: | 2022-01-05 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Core Module of the Yeast Paf1 Complex.
J.Mol.Biol., 434, 2021
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8VLQ
 | | Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9 | | Descriptor: | (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | | Deposit date: | 2024-01-12 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography.
Biophys.J., 123, 2024
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8DSF
 | | Structure of cIAP1 with BCCov | | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Schiemer, J.S, Calabrese, M.F. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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2V9Q
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5JHG
 | | Crystal structure of the complex between the human RhoA and the DH/PH domain of human ARHGEF11 | | Descriptor: | GLYCEROL, Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | | Authors: | Wang, R, Chen, Q, Zhang, H, Yan, Z, Li, J, Miao, L, Wang, F. | | Deposit date: | 2016-04-21 | | Release date: | 2017-04-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and ARHGEF11
To Be Published
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1TMJ
 | | Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Blaszczyk, J, Ji, X. | | Deposit date: | 2004-06-10 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
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4UBE
 | | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE | | Descriptor: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase | | Authors: | Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C. | | Deposit date: | 2014-08-12 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.933 Å) | | Cite: | CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
TO BE PUBLISHED
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8LDH
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6U0M
 | | Structure of the S. cerevisiae replicative helicase CMG in complex with a forked DNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA (15-MER), ... | | Authors: | Yuan, Z, Georgescu, R, Bai, L, Zhang, D, O'Donnell, M, Li, H. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | DNA unwinding mechanism of a eukaryotic replicative CMG helicase.
Nat Commun, 11, 2020
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8E2B
 | | N-terminal domain of S. aureus GpsB | | Descriptor: | Cell cycle protein GpsB, GLYCEROL | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2022-08-14 | | Release date: | 2023-08-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Staphylococcus aureus FtsZ and PBP4 bind to the conformationally dynamic N-terminal domain of GpsB.
Elife, 13, 2024
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1NXQ
 | | Crystal Structure of R-alcohol dehydrogenase (RADH) (apoenyzme) from Lactobacillus brevis | | Descriptor: | MAGNESIUM ION, R-alcohol dehydrogenase | | Authors: | Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | | Deposit date: | 2003-02-11 | | Release date: | 2003-04-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The crystal structure of R-specific alcohol dehydrogenase from Lactobacillus brevis suggests the structural basis of its metal dependency
J.Mol.Biol., 327, 2003
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