6ODC
 
 | | Crystal structure of HDAC8 in complex with compound 30 | | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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6ODA
 | | Crystal structure of HDAC8 in complex with compound 2 | | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
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1SJ0
 | | Human Estrogen Receptor Alpha Ligand-binding Domain in Complex with the Antagonist Ligand 4-D | | Descriptor: | (2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OL, Estrogen receptor | | Authors: | Kim, S, Wu, J.Y, Birzin, E.T, Chan, W, Pai, L.Y, Yang, Y.T, Mosley, R.T, Fitzgerald, P.M, Sharma, N, DiNinno, F, Rohrer, S.P, Schaeffer, J.M, Hammond, M.L. | | Deposit date: | 2004-03-02 | | Release date: | 2004-04-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Estrogen Receptor Ligands. II. Discovery of Benzoxathiins as Potent, Selective Estrogen Receptor alpha Modulators.
J.Med.Chem., 47, 2004
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5DYW
 | | Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide | | 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: | Coquelle, N, Brus, B, Colletier, J.P. | | Deposit date: | 2015-09-25 | | Release date: | 2017-01-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
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1B7F
 | | SXL-LETHAL PROTEIN/RNA COMPLEX | | Descriptor: | PROTEIN (SXL-LETHAL PROTEIN), RNA (5'-R(P*GP*UP*UP*GP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | Authors: | Handa, N, Nureki, O, Kurimoto, K, Kim, I, Sakamoto, H, Shimura, Y, Muto, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 1999-01-23 | | Release date: | 1999-05-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for recognition of the tra mRNA precursor by the Sex-lethal protein.
Nature, 398, 1999
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6UMR
 | | Structure of DUF89 - D291A mutant | | Descriptor: | Damage-control phosphatase DUF89, MAGNESIUM ION | | Authors: | Perry, J.J, Kenjic, N, Dennis, T.N. | | Deposit date: | 2019-10-10 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Human ARMT1 structure and substrate specificity indicates that it is a DUF89 family damage-control phosphatase.
J.Struct.Biol., 212, 2020
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5DPL
 | | The structure of PKMT2 from Rickettsia typhi in complex with AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, protein lysine methyltransferase 2 | | Authors: | Noinaj, N, Abeykoon, A, He, Y, Yang, D.C, Buchanan, S.K. | | Deposit date: | 2015-09-12 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural Insights into Substrate Recognition and Catalysis in Outer Membrane Protein B (OmpB) by Protein-lysine Methyltransferases from Rickettsia.
J.Biol.Chem., 291, 2016
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6GPC
 | | Crystal structure of the arginine-bound form of domain 1 from TmArgBP | | Descriptor: | ARGININE, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | | Authors: | Smaldone, G, Balasco, N, Ruggiero, A, Berisio, R, Vitagliano, L. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Domain communication in Thermotoga maritima Arginine Binding Protein unraveled through protein dissection.
Int. J. Biol. Macromol., 119, 2018
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5DQ2
 | | Endothiapepsin in complex with fragment 48 | | Descriptor: | 1,2-ETHANEDIOL, Endothiapepsin, GLYCEROL, ... | | Authors: | Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. | | Deposit date: | 2015-09-14 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.514 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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1AU6
 | | SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3') | | Authors: | Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J. | | Deposit date: | 1997-09-11 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA.
Nat.Struct.Biol., 2, 1995
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6ODJ
 | | PolyAla Model of the PRC from the Type 4 Secretion System of H. pylori | | Descriptor: | PolyAla Model of PRC from H.pylori | | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | Deposit date: | 2019-03-26 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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1BH1
 | | STRUCTURAL STUDIES OF D-PRO MELITTIN, NMR, 20 STRUCTURES | | Descriptor: | MELITTIN | | Authors: | Barnham, K.J, Hewish, D, Werkmeister, J, Curtain, C, Kirkpatrick, A, Bartone, N, Liu, S.T, Norton, R, Rivett, D. | | Deposit date: | 1998-06-11 | | Release date: | 1999-01-06 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structure and activity of D-Pro14 melittin.
J.Protein Chem., 21, 2002
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6OEG
 | | Structure of CagX from a cryo-EM reconstruction of a T4SS | | Descriptor: | Type IV secretion system apparatus protein CagX | | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | Deposit date: | 2019-03-27 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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5D56
 | | In meso in situ serial X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K | | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, CITRATE ANION, ... | | Authors: | Huang, C.-Y, Howe, N, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M. | | Deposit date: | 2015-08-10 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
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4PIS
 | | Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor | | Descriptor: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease | | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | | Deposit date: | 2014-05-09 | | Release date: | 2014-09-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
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8B8S
 | | Solution structure of tandem RRM1 and RRM2 domains of yeast NPL3 | | Descriptor: | Serine/arginine (SR)-type shuttling mRNA binding protein NPL3 | | Authors: | Kachariya, N, Sattler, M, Keil, P, Strasser, K. | | Deposit date: | 2022-10-04 | | Release date: | 2022-11-09 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | Npl3 functions in mRNP assembly by recruitment of mRNP components to the transcription site and their transfer onto the mRNA.
Nucleic Acids Res., 51, 2023
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5D1Y
 | | Low resolution crystal structure of human ribonucleotide reductase alpha6 hexamer in complex with dATP | | Descriptor: | Ribonucleoside-diphosphate reductase large subunit | | Authors: | Ando, N, Li, H, Brignole, E.J, Thompson, S, McLaughlin, M.I, Page, J, Asturias, F, Stubbe, J, Drennan, C.L. | | Deposit date: | 2015-08-04 | | Release date: | 2016-01-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (9.005 Å) | | Cite: | Allosteric Inhibition of Human Ribonucleotide Reductase by dATP Entails the Stabilization of a Hexamer.
Biochemistry, 55, 2016
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6CX1
 | | Cryo-EM structure of Seneca Valley Virus-Anthrax Toxin Receptor 1 complex | | Descriptor: | Anthrax toxin receptor 1, Capsid protein VP1, Capsid protein VP2, ... | | Authors: | Jayawardena, N, Burga, L, Easingwood, R, Takizawa, Y, Wolf, M, Bostina, M. | | Deposit date: | 2018-04-02 | | Release date: | 2018-10-31 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for anthrax toxin receptor 1 recognition by Seneca Valley Virus.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GVV
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6W5T
 | | NPC1 structure in GDN micelles at pH 5.5, conformation a | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Yan, N, Qian, H.W, Wu, X.L. | | Deposit date: | 2020-03-13 | | Release date: | 2020-06-17 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
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5D78
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6CON
 | | Crystal structure of Mycobacterium tuberculosis IpdAB | | Descriptor: | CoA-transferase subunit alpha, CoA-transferase subunit beta | | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | | Deposit date: | 2018-03-12 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5D8Z
 | | Structrue of a lucidum protein | | Descriptor: | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, endoglucanase | | Authors: | Guo, R, Li, Q, Shang, N, Liu, G, Ko, T.P, Chen, C.C, Liu, W. | | Deposit date: | 2015-08-18 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional and structural analyses of a 1,4-beta-endoglucanase from Ganoderma lucidum.
Enzyme.Microb.Technol., 86, 2016
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6VW4
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6VWL
 | | 70S ribosome bound to HIV frameshifting stem-loop (FSS) and P/E tRNA (rotated conformation) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Loerch, S, Bao, C, Ling, C, Korostelev, A.A, Grigorieff, N, Ermolenko, D.M. | | Deposit date: | 2020-02-20 | | Release date: | 2020-06-03 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | mRNA stem-loops can pause the ribosome by hindering A-site tRNA binding.
Elife, 9, 2020
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