6CLW
 
 | | Crystal structure of TnmH | | Descriptor: | O-methyltransferase | | Authors: | Chang, C.Y, Annaval, T, Adhikari, A, Yan, X, Shen, B. | | Deposit date: | 2018-03-02 | | Release date: | 2019-03-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Characterization of TnmH as anO-Methyltransferase Revealing Insights into Tiancimycin Biosynthesis and Enabling a Biocatalytic Strategy To Prepare Antibody-Tiancimycin Conjugates.
J.Med.Chem., 63, 2020
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6VKN
 | | BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cottrell, C.A, Ward, A.B. | | Deposit date: | 2020-01-21 | | Release date: | 2020-08-12 | | Last modified: | 2020-09-02 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
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7AT5
 | | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, Casein kinase II subunit alpha, ... | | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
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4V8H
 | | Crystal structure of HPF bound to the 70S ribosome. | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Polikanov, Y.S, Blaha, G.M, Steitz, T.A. | | Deposit date: | 2011-12-11 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | How Hibernation Factors RMF, HPF, and YfiA Turn Off Protein Synthesis.
Science, 336, 2012
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2W4H
 | | Isometrically contracting insect asynchronous flight muscle quick frozen after a quick release step | | Descriptor: | MYOSIN HEAVY CHAIN, SKELETAL MUSCLE, ADULT, ... | | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | | Deposit date: | 2008-11-25 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | Structural Changes in Isometrically Contracting Insect Flight Muscle Trapped Following a Mechanical Perturbation.
Plos One, 7, 2012
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4IKP
 | | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-27 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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5D6S
 | | Structure of epoxyqueuosine reductase from Streptococcus thermophilus. | | Descriptor: | COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER | | Authors: | Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D. | | Deposit date: | 2015-08-12 | | Release date: | 2015-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification.
J.Biol.Chem., 290, 2015
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7AK9
 | | Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide | | Descriptor: | ABC transporter, Acetyltransferase, DEPHOSPHO COENZYME A | | Authors: | Grabe, G.J, Morgan, R.M.L, Hare, S.A, Helaine, S. | | Deposit date: | 2020-09-30 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Auxiliary interfaces support the evolution of specific toxin-antitoxin pairing.
Nat.Chem.Biol., 17, 2021
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3ZDI
 | | Glycogen Synthase Kinase 3 Beta complexed with Axin Peptide and Inhibitor 7d | | Descriptor: | 3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile, AXIN-1, GLYCOGEN SYNTHASE KINASE-3 BETA, ... | | Authors: | Oberholzer, A.E, Pearl, L.H. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.645 Å) | | Cite: | 3,6-Diamino-4-(2-Halophenyl)-2-Benzoylthieno(2,3-B) Pyridine-5-Carbonitriles are Selective Inhibitors of Plasmodium Falciparum Glycogen Synthase Kinase-3 (Pfgsk-3)
J.Med.Chem., 56, 2013
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6VS6
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6VV6
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.235 Å) | | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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5V54
 | | Crystal structure of 5-HT1B receptor in complex with methiothepin | | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 1B,OB-1 fused 5-HT1b receptor,5-hydroxytryptamine receptor 1B | | Authors: | Yin, W.C, Zhou, X.E, Yang, D, de Waal, P, Wang, M.T, Dai, A, Cai, X, Huang, C.Y, Liu, P, Yin, Y, Liu, B, Caffrey, M, Melcher, K, Xu, Y, Wang, M.W, Xu, H.E, Jiang, Y. | | Deposit date: | 2017-03-13 | | Release date: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | A common antagonistic mechanism for class A GPCRs revealed by the structure of the human 5-HT1B serotonin receptor bound to an antagonist
Cell Discov, 2018
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7AYV
 | | X-ray crystallographic structure of (6-4)photolyase from Drosophila melanogaster at cryogenic temperature | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, RE11660p, ... | | Authors: | Cellini, A, Wahlgren, W.Y, Henry, L, Westenhoff, S. | | Deposit date: | 2020-11-13 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The three-dimensional structure of Drosophila melanogaster (6-4) photolyase at room temperature.
Acta Crystallogr D Struct Biol, 77, 2021
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6VW0
 | | Mycobacterium tuberculosis RNAP S456L mutant open promoter complex | | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-10-21 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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4IB6
 | | Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12) | | Descriptor: | Beta-lactoglobulin, LAURIC ACID | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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4UZI
 | | Crystal Structure of AauDyP Complexed with Imidazole | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Strittmatter, E, Liers, C, Ullrich, R, Hofrichter, M, Piontek, K, Plattner, D.A. | | Deposit date: | 2014-09-05 | | Release date: | 2015-01-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Toolbox of Auricularia Auricula-Judae Dye-Decolorizing Peroxidase - Identification of Three New Potential Substrate-Interaction Sites.
Arch.Biochem.Biophys., 574, 2015
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4IDQ
 | | human atlastin-1 1-446, N440T, GDPAlF4- | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, ... | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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4IBJ
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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2W3I
 | | Crystal Structure of FXa in complex with 4,4-disubstituted pyrrolidine-1,2-dicarboxamide inhibitor 2 | | Descriptor: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Mochalkin, I, Casimiro-Garcia, A, Van Huis, C.A. | | Deposit date: | 2008-11-12 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploration of 4,4-Disubstituted Pyrrolidine-1,2-Dicarboxamides as Potent, Orally Active Factor Xa Inhibitors with Extended Duration of Action.
Bioorg.Med.Chem., 17, 2009
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4IC1
 | | Crystal structure of SSO0001 | | Descriptor: | IRON/SULFUR CLUSTER, MANGANESE (II) ION, Uncharacterized protein | | Authors: | Nocek, B, Skarina, T, Lemak, S, Beloglazova, N, Flick, R, Brown, G, Savchenko, A, Joachimiak, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-12-09 | | Release date: | 2013-01-16 | | Last modified: | 2014-07-02 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Toroidal structure and DNA cleavage by the CRISPR-associated [4Fe-4S] cluster containing Cas4 nuclease SSO0001 from Sulfolobus solfataricus.
J.Am.Chem.Soc., 135, 2013
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4IFA
 | | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Shatsman, S, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-14 | | Release date: | 2012-12-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames
To be Published
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7B5T
 | | S. agalactiae BusR transcription factor | | Descriptor: | GntR family transcriptional regulator | | Authors: | Bandera, A.M, Witte, G. | | Deposit date: | 2020-12-07 | | Release date: | 2021-08-11 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | BusR senses bipartite DNA binding motifs by a unique molecular ruler architecture.
Nucleic Acids Res., 49, 2021
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4V4O
 | | Crystal Structure of the Chaperonin Complex Cpn60/Cpn10/(ADP)7 from Thermus Thermophilus | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Shimamura, T, Koike-Takeshita, A, Yokoyama, K, Masui, R, Murai, N, Yoshida, M, Taguchi, H, Iwata, S. | | Deposit date: | 2004-05-23 | | Release date: | 2014-07-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the native chaperonin complex from Thermus thermophilus revealed unexpected asymmetry at the cis-cavity
STRUCTURE, 12, 2004
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1JTY
 | | Crystal structure of the multidrug binding transcriptional regulator QacR bound to ethidium | | Descriptor: | ETHIDIUM, HYPOTHETICAL TRANSCRIPTIONAL REGULATOR IN QACA 5'REGION, SULFATE ION | | Authors: | Schumacher, M.A, Miller, M.C, Grkovic, S, Brown, M.H, Skurray, R.A, Brennan, R.G. | | Deposit date: | 2001-08-22 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.97 Å) | | Cite: | Structural mechanisms of QacR induction and multidrug recognition.
Science, 294, 2001
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3X41
 | | Copper amine oxidase from Arthrobacter globiformis: Product Schiff-base form produced by anaerobic reduction in the presence of sodium bromide | | Descriptor: | BROMIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Okajima, T, Nakanishi, S, Murakawa, T, Kataoka, M, Hayashi, H, Hamaguchi, A, Nakai, T, Kawano, Y, Yamaguchi, H, Tanizawa, K. | | Deposit date: | 2015-03-10 | | Release date: | 2015-08-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Probing the Catalytic Mechanism of Copper Amine Oxidase from Arthrobacter globiformis with Halide Ions.
J.Biol.Chem., 290, 2015
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