3KQU
 
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5TWM
 | | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2016-11-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase.
Medchemcomm, 8, 2017
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5DLO
 | | S. aureus MazF in complex with substrate analogue | | Descriptor: | CHLORIDE ION, DNA substrate analogue AUACAUA, Endoribonuclease MazF | | Authors: | Zorzini, V, Loris, R. | | Deposit date: | 2015-09-07 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.401 Å) | | Cite: | Substrate recognition, regulation mechanism and activity regulation of MazF mRNA interferase.
To Be Published
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3KK2
 | | HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2009-11-04 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
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4G7H
 | | Crystal structure of Thermus thermophilus transcription initiation complex | | Descriptor: | 5'-D(*CP*CP*T*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*G)-3', 5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*AP*GP*G)-3', DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Zhang, Y, Ebright, R.H. | | Deposit date: | 2012-07-20 | | Release date: | 2012-10-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of transcription initiation.
Science, 338, 2012
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2FQM
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7NE0
 | | Structure of the ternary complex between Netrin-1, Repulsive-Guidance Molecule-B (RGMB) and Neogenin | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | Deposit date: | 2021-02-02 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling.
Cell, 184, 2021
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6R36
 | | T. brucei farnesyl pyrophosphate synthase (FPPS) | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | | Deposit date: | 2019-03-19 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase.
Chembiochem, 21, 2020
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5DSD
 | | The crystal structure of the C-terminal domain of Ebola (Bundibugyo) nucleoprotein | | Descriptor: | CHLORIDE ION, GLYCEROL, Nucleoprotein | | Authors: | Baker, L, Handing, K.B, Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | | Deposit date: | 2015-09-17 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Acta Crystallogr D Struct Biol, 72, 2016
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8FZA
 | | Class I type III preQ1 riboswitch from E. coli | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, MANGANESE (II) ION, PreQ1 Riboswitch (30-MER) | | Authors: | Wedekind, J.E, Schroeder, G.M, Jenkins, J.L. | | Deposit date: | 2023-01-27 | | Release date: | 2023-08-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function analysis of a type III preQ 1 -I riboswitch from Escherichia coli reveals direct metabolite sensing by the Shine-Dalgarno sequence.
J.Biol.Chem., 299, 2023
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3VCR
 | | Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica | | Descriptor: | PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase | | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-01-04 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
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5OSN
 | | Crystal Structure of Bovine Enterovirus 2 determined with Serial Femtosecond X-ray Crystallography | | Descriptor: | Capsid protein, GLUTAMIC ACID, POTASSIUM ION, ... | | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Kotecha, A, Kelly, J, Rowlands, D.J, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | | Deposit date: | 2017-08-17 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
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7N5Z
 | | SARS-CoV-2 Main protease C145S mutant | | Descriptor: | 3C-like proteinase | | Authors: | Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S. | | Deposit date: | 2021-06-07 | | Release date: | 2021-06-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
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7NKU
 | | diazaborine bound Drg1(AFG2) | | Descriptor: | 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL, ATPase family gene 2 protein, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Prattes, M, Bergler, H, Haselbach, D. | | Deposit date: | 2021-02-19 | | Release date: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for inhibition of the AAA-ATPase Drg1 by diazaborine.
Nat Commun, 12, 2021
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3V85
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6ROS
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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6ROR
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from C. hominis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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3VV6
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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6IQW
 | | Cryo-EM structure of Csm effector complex | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Csm1, Csm2, ... | | Authors: | Huo, Y, Li, T, Wang, N, Dong, Q, Wang, X, Jiang, T. | | Deposit date: | 2018-11-09 | | Release date: | 2019-01-16 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM structure of Type III-A CRISPR effector complex.
Cell Res., 28, 2018
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6SO2
 | | Fragment N13460a in complex with MAP kinase p38-alpha | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6SPL
 | | Fragment KCL615 in complex with MAP kinase p38-alpha | | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-09-01 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6ROU
 | | REP related 18-mer DNA | | Descriptor: | REP related 18-mer DNA from H. parasuis, STRONTIUM ION | | Authors: | Kolenko, P, Svoboda, J, Schneider, B. | | Deposit date: | 2019-05-13 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.902 Å) | | Cite: | Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
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6RM2
 | | Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ... | | Authors: | Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A. | | Deposit date: | 2019-05-04 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
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6SO1
 | | Fragment N13569a in complex with MAP kinase p38-alpha | | Descriptor: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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6SOI
 | | Fragment N13788a in complex with MAP kinase p38-alpha | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Nichols, C.E, De Nicola, G.F. | | Deposit date: | 2019-08-29 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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