4W1V
 
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-08-13 | | Release date: | 2015-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
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3H8Z
 | | The Crystal Structure of the Tudor Domains from FXR2 | | Descriptor: | Fragile X mental retardation syndrome-related protein 2 | | Authors: | Amaya, M.F, Dong, A, Adams-Cioaba, M.A, Guo, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-29 | | Release date: | 2009-06-16 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
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4V60
 | | The structure of rat liver vault at 3.5 angstrom resolution | | Descriptor: | Major vault protein | | Authors: | Kato, K, Zhou, Y, Tanaka, H, Yao, M, Yamashita, E, Yoshimura, M, Tsukihara, T. | | Deposit date: | 2008-10-24 | | Release date: | 2014-07-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The structure of rat liver vault at 3.5 angstrom resolution
Science, 323, 2009
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4W94
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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4W9E
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4) | | Descriptor: | (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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4W9W
 | | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | | Descriptor: | 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase | | Authors: | Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
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5VPO
 | | The 70S P-site ASL SufA6 complex | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2017-05-05 | | Release date: | 2018-09-26 | | Last modified: | 2018-11-07 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3UND
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5VLH
 | | Short PCSK9 delta-P' complex with peptide Pep1 | | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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4WBR
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5VLL
 | | Short PCSK9 delta-P' complex with peptide Pep3 | | Descriptor: | ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ... | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
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4WC3
 | | Structure of tRNA-processing enzyme complex 1 | | Descriptor: | Poly A polymerase, RNA 76-mer | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2014-09-04 | | Release date: | 2015-04-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
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4WCM
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8RKF
 | | Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L. | | Deposit date: | 2023-12-25 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
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4WDH
 | | Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A | | Descriptor: | 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION | | Authors: | Myllykoski, M, Raasakka, A, Kursula, P. | | Deposit date: | 2014-09-08 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
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5D3Q
 | | Dynamin 1 GTPase-BSE fusion dimer complexed with GDP | | Descriptor: | 1,2-ETHANEDIOL, Dynamin-1,Dynamin-1, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Anand, R, Eschenburg, S, Reubold, T.F. | | Deposit date: | 2015-08-06 | | Release date: | 2015-12-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the GTPase domain and the bundle signalling element of dynamin in the GDP state.
Biochem.Biophys.Res.Commun., 469, 2016
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5VNH
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4WED
 | | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti | | Descriptor: | ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ... | | Authors: | Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-09 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
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7LA5
 | | Structure of human GGT1 in complex with Lnt1-172 compound. | | Descriptor: | (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Terzyan, S.S, Hanigan, M, Nguen, L. | | Deposit date: | 2021-01-05 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of human GGT1 in complex with Lnt1-172 compound.
To Be Published
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5VOF
 | | DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban | | Descriptor: | 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ... | | Authors: | Krishnaswamy, S, Kumar, S. | | Deposit date: | 2017-05-02 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
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4V1D
 | | Ternary complex among two human derived single chain antibody fragments and Cn2 toxin from scorpion Centruroides noxius. | | Descriptor: | BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN, ... | | Authors: | Riano-Umbarila, L, Serrano-Posada, H, Rojas-Trejo, S, Rudino-Pinera, E, Becerril, B. | | Deposit date: | 2014-09-25 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Optimal Neutralization of Centruroides Noxius Venom is Understood Through a Structural Complex between Two Antibody Fragments and the Cn2 Toxin.
J.Biol.Chem., 291, 2016
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5VXQ
 | | X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5 | | Descriptor: | AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3') | | Authors: | Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K. | | Deposit date: | 2017-05-23 | | Release date: | 2017-08-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.002 Å) | | Cite: | Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.
Nucleic Acids Res., 45, 2017
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2FVM
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2FYV
 | | Golgi alpha-mannosidase II complex with an amino-salacinol carboxylate analog | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID, ... | | Authors: | Kuntz, D.A, Hamlet, T, Rose, D.R. | | Deposit date: | 2006-02-08 | | Release date: | 2006-12-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis, enzymatic activity, and X-ray crystallography of an unusual class of amino acids.
Bioorg.Med.Chem., 14, 2006
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