8CNJ
 
 | | HRas(1-166) in complex with GDP and BeF3- | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2023-02-23 | | Release date: | 2023-09-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
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6AJK
 | | Crystal structure of TFB1M and h45 in homo sapiens | | Descriptor: | Dimethyladenosine transferase 1, mitochondrial, RNA (28-MER) | | Authors: | Liu, X, Shen, S, Wu, P, Li, F, Wang, C, Gong, Q, Wu, J, Zhang, H, Shi, Y. | | Deposit date: | 2018-08-28 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Structural insights into dimethylation of 12S rRNA by TFB1M: indispensable role in translation of mitochondrial genes and mitochondrial function.
Nucleic Acids Res., 47, 2019
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8C0V
 | | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in single seam state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | | Deposit date: | 2022-12-19 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Nat Commun, 14, 2023
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8C0W
 | | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate in twin seam state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ruettermann, M, Koci, M, Lill, P, Geladas, E.D, Kaschani, F, Klink, B.U, Erdmann, R, Gatsogiannis, C. | | Deposit date: | 2022-12-19 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.
Nat Commun, 14, 2023
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6U5A
 | | Crystal structure of Equine Serum Albumin complex with 6-MNA | | Descriptor: | (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ... | | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-27 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma.
J.Med.Chem., 63, 2020
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5F2E
 | | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | | Deposit date: | 2015-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State.
Cancer Discov, 6, 2016
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4XRU
 | | Structure of Pnkp1/Rnl/Hen1 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Wang, P. | | Deposit date: | 2015-01-21 | | Release date: | 2015-04-22 | | Last modified: | 2015-04-29 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Reconstitution and structure of a bacterial Pnkp1-Rnl-Hen1 RNA repair complex.
Nat Commun, 6, 2015
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1NPL
 | | MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM DAFFODIL (NARCISSUS PSEUDONARCISSUS) BULBS IN COMPLEX WITH MANNOSE-ALPHA1,3-MANNOSE | | Descriptor: | PHOSPHATE ION, PROTEIN (AGGLUTININ), alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose | | Authors: | Sauerborn, M.K, Wright, L.M, Reynolds, C.D, Grossmann, J.G, Rizkallah, P.J. | | Deposit date: | 1998-12-17 | | Release date: | 1998-12-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into carbohydrate recognition by Narcissus pseudonarcissus lectin: the crystal structure at 2 A resolution in complex with alpha1-3 mannobiose.
J.Mol.Biol., 290, 1999
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3NJU
 | | Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution | | Descriptor: | 4-METHOXYBENZOIC ACID, CALCIUM ION, Phospholipase A2 isoform 3 | | Authors: | Kaushik, S, Prem Kumar, R, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2010-06-18 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution
To be Published
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7AF2
 | | Salmonella typhimurium neuraminidase mutant (D62G) | | Descriptor: | GLYCEROL, PHOSPHATE ION, Sialidase | | Authors: | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (0.792 Å) | | Cite: | Salmonella typhimurium neuraminidase mutant (D62G)
To Be Published
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5XA2
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5J1U
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide at 1.80A resolution | | Descriptor: | EthR, N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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6KZQ
 | | structure of PTP-MEG2 and NSF-pY83 peptide complex | | Descriptor: | NSF-pY83 peptide, Tyrosine-protein phosphatase non-receptor type 9 | | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
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4XZ4
 | | Structure of PI3K gamma in complex with an inhibitor | | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of PI3K gamma in complex with an inhibitor
To Be Published
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5CBP
 | | Crystal Structure of Conjoint Pyrococcus furiosus L-asparaginase at 37 degree C | | Descriptor: | CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Sharma, P, Yadav, S.P, Tomar, R, Kundu, B, Ashish, F. | | Deposit date: | 2015-07-01 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.358 Å) | | Cite: | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
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7RU0
 | | SthK R120A Open State 1 | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SthK | | Authors: | Gao, X, Nimigean, C, Schmidpeter, P. | | Deposit date: | 2021-08-16 | | Release date: | 2022-11-23 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Gating intermediates reveal inhibitory role of the voltage sensor in a cyclic nucleotide-modulated ion channel.
Nat Commun, 13, 2022
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6L03
 | | structure of PTP-MEG2 and MUNC18-1-pY145 peptide complex | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 9, stxbp1-pY145 peptide | | Authors: | Xu, Y.F, Chen, X, Yu, X, Sun, J.P. | | Deposit date: | 2019-09-25 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.084 Å) | | Cite: | PTP-MEG2 regulates quantal size and fusion pore opening through two distinct structural bases and substrates.
Embo Rep., 22, 2021
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1FNK
 | | CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S | | Descriptor: | PROTEIN (CHORISMATE MUTASE) | | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | | Deposit date: | 2000-08-22 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
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8CIZ
 | | DNA-polymerase sliding clamp (DnaN) from Escherichia coli in complex with Mycoplanecin A. | | Descriptor: | Beta sliding clamp, Mycoplanecin A | | Authors: | Fu, C, Liu, Y, Walt, C, Bader, C, Rasheed, S, Lukat, P, Neuber, M, Blankenfeldt, W, Kalinina, O, Mueller, R. | | Deposit date: | 2023-02-11 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Elucidation of unusual biosynthesis and DnaN-targeting mode of action of potent anti-tuberculosis antibiotics Mycoplanecins.
Nat Commun, 15, 2024
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4XYX
 | | NanB plus Optactamide | | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
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1TUP
 | | TUMOR SUPPRESSOR P53 COMPLEXED WITH DNA | | Descriptor: | DNA (5'-D(*AP*TP*AP*AP*TP*TP*GP*GP*GP*CP*AP*AP*GP*TP*CP*TP*A P*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*CP*CP*TP*AP*GP*AP*CP*TP*TP*GP*CP*CP*CP*A P*AP*TP*TP*A)-3'), PROTEIN (P53 TUMOR SUPPRESSOR ), ... | | Authors: | Cho, Y, Gorina, S, Jeffrey, P.D, Pavletich, N.P. | | Deposit date: | 1995-07-11 | | Release date: | 1995-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a p53 tumor suppressor-DNA complex: understanding tumorigenic mutations.
Science, 265, 1994
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5BY6
 | | Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W. | | Deposit date: | 2015-06-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
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5FM2
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | Deposit date: | 2015-10-30 | | Release date: | 2016-12-28 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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6UD1
 | | Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions | | Descriptor: | CHLORIDE ION, Streptavidin | | Authors: | Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K. | | Deposit date: | 2019-09-18 | | Release date: | 2021-02-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
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5J1Y
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with 1-(pyrrolidin-1-yl)-3-(tetrahydrofuran-3-yl)propan-1-one at 1.81A resolution | | Descriptor: | 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one, EthR | | Authors: | Blaszczyk, M, Surade, S, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2016-03-29 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12, 2017
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