5ZDZ
 
 | | Hairpin Forming Complex, RAG1/2-Nicked 12RSS/23RSS complex in Ca2+ | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (30-MER), ... | | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2018-02-25 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
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5DYU
 | | Crystal Structure of BAZ2B bromodomain in complex with fragment F39 | | Descriptor: | 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Lolli, G, Caflisch, A. | | Deposit date: | 2015-09-25 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography.
Acs Chem.Biol., 11, 2016
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6B9M
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6BAA
 | | Cryo-EM structure of the pancreatic beta-cell KATP channel bound to ATP and glibenclamide | | Descriptor: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 8, ... | | Authors: | Martin, G.M, Yoshioka, C, Shyng, S.L. | | Deposit date: | 2017-10-12 | | Release date: | 2017-11-01 | | Last modified: | 2019-12-25 | | Method: | ELECTRON MICROSCOPY (3.63 Å) | | Cite: | Anti-diabetic drug binding site in a mammalian KATPchannel revealed by Cryo-EM.
Elife, 6, 2017
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5ZE0
 | | Hairpin Forming Complex, RAG1/2-Nicked(with Dideoxy) 12RSS/23RSS complex in Mg2+ | | Descriptor: | 1,2-ETHANEDIOL, DNA (30-MER), DNA (39-MER), ... | | Authors: | Kim, M.S, Chuenchor, W, Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2018-02-25 | | Release date: | 2018-04-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Cracking the DNA Code for V(D)J Recombination
Mol. Cell, 70, 2018
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5A8L
 | | Human eRF1 and the hCMV nascent peptide in the translation termination complex | | Descriptor: | 28S RIBOSOMAL RNA, 60S RIBOSOMAL PROTEIN L12, 60S RIBOSOMAL PROTEIN L17, ... | | Authors: | Matheisl, S, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2015-07-16 | | Release date: | 2015-12-02 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of a Human Translation Termination Complex.
Nucleic Acids Res., 43, 2015
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6DJ4
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4JWL
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6DCQ
 | | Ectodomain of full length, wild type HIV-1 glycoprotein clone PC64M18C043 in complex with PGT151 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rantalainen, K. | | Deposit date: | 2018-05-08 | | Release date: | 2018-06-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Co-evolution of HIV Envelope and Apex-Targeting Neutralizing Antibody Lineage Provides Benchmarks for Vaccine Design.
Cell Rep, 23, 2018
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6D7J
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6C1V
 | | MBD2 in complex with double-stranded DNA | | Descriptor: | 12-mer DNA, Methyl-CpG-binding domain protein 2, UNKNOWN ATOM OR ION | | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-01-05 | | Release date: | 2018-02-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
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6EL6
 | | Glucocorticoid Receptor in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, Glucocorticoid receptor, Nuclear receptor coactivator 2, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
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6EOO
 | | DPP8 - Apo, space group 20 | | Descriptor: | Dipeptidyl peptidase 8 | | Authors: | Ross, B.R, Huber, R. | | Deposit date: | 2017-10-10 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures and mechanism of dipeptidyl peptidases 8 and 9, important players in cellular homeostasis and cancer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6ER3
 | | Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose | | Descriptor: | BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose | | Authors: | Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. | | Deposit date: | 2017-10-16 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
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6ERQ
 | | Structure of the human mitochondrial transcription initiation complex at the HSP promoter | | Descriptor: | DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ... | | Authors: | Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P. | | Deposit date: | 2017-10-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
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6BRR
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4M6W
 | | Crystal structure of the C-terminal segment of FANCM in complex with FAAP24 | | Descriptor: | Fanconi anemia group M protein, Fanconi anemia-associated protein of 24 kDa, SULFATE ION | | Authors: | Yang, H, Zhang, T, Tong, L, Ding, J. | | Deposit date: | 2013-08-11 | | Release date: | 2013-10-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural insights into the functions of the FANCM-FAAP24 complex in DNA repair.
Nucleic Acids Res., 41, 2013
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6EC6
 | | Ruminococcus gnavus Beta-glucuronidase | | Descriptor: | Beta-glucuronidase, CHLORIDE ION, GLYCEROL | | Authors: | Biernat, K.A, Redinbo, M.R. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases.
Sci Rep, 9, 2019
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6C4G
 | | Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-601) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Czabotar, P.E, Hodder, A.N, Nguyen, W, Sleebs, B.E, Boddey, J.A, Cowman, A.F. | | Deposit date: | 2018-01-11 | | Release date: | 2018-06-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Enhanced antimalarial activity of plasmepsin V inhibitors by modification of the P2position of PEXEL peptidomimetics.
Eur J Med Chem, 154, 2018
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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6EL9
 | | Glucocorticoid Receptor in complex with AZD9567 | | Descriptor: | 1,2-ETHANEDIOL, 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide, Glucocorticoid receptor, ... | | Authors: | Edman, K, Wissler, L. | | Deposit date: | 2017-09-28 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.
J. Med. Chem., 61, 2018
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5E73
 | | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | | Authors: | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | | Deposit date: | 2015-10-11 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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5WU1
 | | Crystal structure of apo human Tut1, form I | | Descriptor: | CHLORIDE ION, Speckle targeted PIP5K1A-regulated poly(A) polymerase | | Authors: | Yamashita, S, Tomita, K. | | Deposit date: | 2016-12-16 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of U6 snRNA-specific terminal uridylyltransferase
Nat Commun, 8, 2017
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2OZA
 | | Structure of p38alpha complex | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T. | | Deposit date: | 2007-02-25 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
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6H0M
 | | 17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, DIMETHYL SULFOXIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Badran, M, Klebe, G, Heine, A, Marchais-Oberwinkler, S. | | Deposit date: | 2018-07-10 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | 17beta-hydroxysteroid dehydrogenase type 14 mutant K158A in complex with Nicotinamide Adenine Dinucleotide
To Be Published
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