5OJJ
 
 | | Crystal structure of the Zn-bound ubiquitin-conjugating enzyme Ube2T | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, Ubiquitin-conjugating enzyme E2 T, ... | | Authors: | Morreale, F.E, Testa, A, Chaugule, V.K, Bortoluzzi, A, Ciulli, A, Walden, H. | | Deposit date: | 2017-07-21 | | Release date: | 2017-10-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Mind the Metal: A Fragment Library-Derived Zinc Impurity Binds the E2 Ubiquitin-Conjugating Enzyme Ube2T and Induces Structural Rearrangements.
J. Med. Chem., 60, 2017
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1UE6
 | | Crystal structure of the single-stranded dna-binding protein from mycobacterium tuberculosis | | Descriptor: | Single-strand binding protein | | Authors: | Saikrishnan, K, Jeyakanthan, J, Venkatesh, J, Acharya, N, Sekar, K, Varshney, U, Vijayan, M, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-05-09 | | Release date: | 2004-02-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of Mycobacterium tuberculosis single-stranded DNA-binding protein. Variability in quaternary structure and its implications
J.MOL.BIOL., 331, 2003
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6LBE
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3RGD
 | | Iron loaded frog M ferritin. Short soaking time | | Descriptor: | FE (III) ION, Ferritin, middle subunit | | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Theil, E.C, Turano, P. | | Deposit date: | 2011-04-08 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
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7PXA
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1Y6W
 | | Trapped intermediate of calmodulin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Calmodulin, ... | | Authors: | Grabarek, Z. | | Deposit date: | 2004-12-07 | | Release date: | 2005-03-01 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of a Trapped Intermediate of Calmodulin: Calcium Regulation of EF-hand Proteins from a New Perspective.
J.Mol.Biol., 346, 2005
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1WBL
 | | WINGED BEAN LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Prabu, M.M, Sankaranarayanan, R, Puri, K.D, Sharma, V, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 1997-04-04 | | Release date: | 1998-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Carbohydrate specificity and quaternary association in basic winged bean lectin: X-ray analysis of the lectin at 2.5 A resolution.
J.Mol.Biol., 276, 1998
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1PN2
 | | Crystal structure analysis of the selenomethionine labelled 2-enoyl-CoA hydratase 2 domain of Candida tropicalis multifunctional enzyme type 2 | | Descriptor: | 1,2-ETHANEDIOL, Peroxisomal hydratase-dehydrogenase-epimerase | | Authors: | Koski, M.K, Haapalainen, A.M, Hiltunen, J.K, Glumoff, T. | | Deposit date: | 2003-06-12 | | Release date: | 2004-04-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Two-domain Structure of One Subunit Explains Unique Features of Eukaryotic Hydratase 2.
J.Biol.Chem., 279, 2004
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5LCM
 | | STRUCTURE OF the RAD14 DNA-binding domain IN COMPLEX WITH N2-acetylaminonaphtyl- GUANINE CONTAINING DNA | | Descriptor: | DNA (5'-D(*GP*CP*TP*CP*TP*AP*CP*(AAN)P*TP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*G)-3'), DNA repair protein RAD14, ... | | Authors: | Schneider, S, Ebert, C, Simon, N, Carell, T. | | Deposit date: | 2016-06-22 | | Release date: | 2017-05-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Insights into the Recognition of N(2) -Aryl- and C8-Aryl DNA Lesions by the Repair Protein XPA/Rad14.
Chembiochem, 18, 2017
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1RAO
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6N22
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3V4X
 | | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin | | Descriptor: | (7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoic acid, HMG-CoA synthase | | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
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3V4N
 | | The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase | | Authors: | Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M. | | Deposit date: | 2011-12-15 | | Release date: | 2012-04-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
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2XDV
 | | Crystal Structure of the Catalytic Domain of FLJ14393 | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | | Authors: | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | | Deposit date: | 2010-05-07 | | Release date: | 2010-05-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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2ZB2
 | | Human liver glycogen phosphorylase a complexed with glcose and 5-chloro-N-[4-(1,2-dihydroxyethyl)phenyl]-1H-indole-2-carboxamide | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide, ... | | Authors: | Katayama, N, Onda, K. | | Deposit date: | 2007-10-15 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives as inhibitors of human liver glycogen phosphorylase a.
Bioorg.Med.Chem., 16, 2008
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2LXU
 | | Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A | | Descriptor: | Heterogeneous nuclear ribonucleoprotein H | | Authors: | Ramelot, T.A, Yang, Y, Pederson, K, Shastry, R, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-08-31 | | Release date: | 2012-10-31 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A
To be Published
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9CGN
 | | Pikromycin Thioesterase with heptaketide adduct | | Descriptor: | (2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal, Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | Authors: | Smith, J.L, Choudhary, V. | | Deposit date: | 2024-06-30 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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8WY7
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | | Deposit date: | 2023-10-30 | | Release date: | 2024-01-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
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9EVD
 | | In situ structure of the peripheral stalk of the mitochondrial ATPsynthase in whole Polytomella cells | | Descriptor: | ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ... | | Authors: | Dietrich, L, Agip, A.N.A, Kuehlbrandt, W. | | Deposit date: | 2024-03-29 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (5.6 Å) | | Cite: | In situ structure and rotary states of mitochondrial ATP synthase in whole Polytomella cells.
Science, 385, 2024
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8X0X
 | | Crystal structure of JE-5C in complex with SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ... | | Authors: | Mohapatra, A, Chen, X. | | Deposit date: | 2023-11-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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8X0Y
 | | Crystal structure of JM-1A in complex with SARS-CoV-2 RBD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of JM-1A Fab, ... | | Authors: | Mohapatra, A, Chen, X. | | Deposit date: | 2023-11-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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7F4Y
 | | Crystal structure of replisomal dimer of DNA polymerase from bacteriophage RB69 with DNA duplexes | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*AP*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3'), ... | | Authors: | Youn, H.-S, Park, J, An, J.Y, Lee, Y, Eom, S.H, Wang, J. | | Deposit date: | 2021-06-21 | | Release date: | 2021-07-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of New Binary and Ternary DNA Polymerase Complexes From Bacteriophage RB69.
Front Mol Biosci, 8, 2021
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9IT8
 | | Crystal structure of the ternary complex of lactoperoxidase with nitric oxide and nitrite ion at 1.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Maurya, A, Ahmad, N, Sharma, P, Sharma, S, Singh, T.P. | | Deposit date: | 2024-07-19 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Crystal structure of the ternary complex of lactoperoxidase with nitric oxide and nitrite ion at 1.95 A resolution
To Be Published
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9C2F
 | | Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '54149 | | Descriptor: | (1R)-1-(2H-1,3-benzodioxol-4-yl)-N-[2-(1,2-benzothiazol-3-yl)ethyl]ethan-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, C, Skiniotis, G. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Large library docking identifies positive allosteric modulators of the calcium-sensing receptor.
Science, 385, 2024
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8YZ5
 | | SARS-CoV-2 Delta Spike in complex with Fab of JE-5C | | Descriptor: | Fab heavy chain of JE-5C, Fab light chain of JE-5C, Spike glycoprotein | | Authors: | Chen, X, Wu, Y.-M. | | Deposit date: | 2024-04-06 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.93 Å) | | Cite: | The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
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