3SSL
 
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3SSY
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4I5M
 | | Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain | | Descriptor: | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK2 | | Authors: | Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P, Neitz, R.J, Yao, N, Lin, M, Tonn, G, Zhang, H, Bova, M.P, Ren, Z, Tam, D, Ruslim, L, Baker, J, Diep, L, Fitzgerald, K, Hoffman, J, Motter, R, Fauss, D, Tanaka, P, Dappen, M, Jagodzinski, J, Chan, W, Konradi, A.W, Latimer, L, Zhu, Y.L, Artis, D.R, Sham, H.L, Anderson, J.P, Bergeron, M. | | Deposit date: | 2012-11-28 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
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4I6Z
 | | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide | | Descriptor: | DNA OLIGONUCLEOTIDE, Transcriptional regulator, TetR family | | Authors: | Koclega, K.D, Chruszcz, M, Cooper, D.R, Petkowski, J.J, Tkaczuk, K.L, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-11-30 | | Release date: | 2013-01-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the transcriptional regulator TM1030 with 24bp DNA oligonucleotide
To be Published
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7DRP
 | | Structure of ATP-grasp ligase PsnB complexed with phosphomimetic variant of minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRO
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor | | Descriptor: | ATP-grasp domain-containing protein, PsnA214-38, Precursor peptide | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRM
 | | Structure of ATP-grasp ligase PsnB complexed with minimal precursor, Mg, and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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7DRN
 | | Structure of ATP-grasp ligase PsnB complexed with precursor peptide PsnA2 and AMPPNP | | Descriptor: | ATP-grasp domain-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PsnA214-38, ... | | Authors: | Song, I, Yu, J, Song, W, Kim, S. | | Deposit date: | 2020-12-29 | | Release date: | 2021-09-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB.
Nat.Chem.Biol., 17, 2021
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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3SZ3
 | | Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan | | Descriptor: | GLYCEROL, TRYPTOPHAN, Tryptophanyl-tRNA synthetase | | Authors: | Cooper, D.R, Kudritska, M, Chruszcz, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-18 | | Release date: | 2011-09-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
To be Published
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4HXB
 | | Crystal structure of 6B9 FAB | | Descriptor: | 6B9 FAB HEAVY CHAIN, 6B9 FAB LIGHT CHAIN, CALCIUM ION | | Authors: | Johal, A.R, Jarrell, H.C, Khieu, N.H, Letts, J.A, Landry, R.C, Jachymek, W, Yang, Q, Jennings, H.J, Brisson, J.R, Evans, S.V. | | Deposit date: | 2012-11-09 | | Release date: | 2013-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The antigen-binding site of an N-propionylated polysialic acid-specific antibody protective against group B meningococci is consistent with extended epitopes.
Glycobiology, 23, 2013
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3TAR
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3RRJ
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with P1,P5-Di(adenosine-5') pentaphosphate | | Descriptor: | BIS(ADENOSINE)-5'-PENTAPHOSPHATE, Bifunctional NAD(P)H-hydrate repair enzyme Nnr, GLYCEROL, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-04-29 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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4I5F
 | | Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S | | Descriptor: | Alclohol dehydrogenase/short-chain dehydrogenase | | Authors: | Jarasch, A, Lerchner, A, Meining, W, Schiefner, A, Skerra, A. | | Deposit date: | 2012-11-28 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Biotechnol.Bioeng., 110, 2013
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7D63
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state C) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-29 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (12.3 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
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7D4I
 | | Cryo-EM structure of 90S small ribosomal precursors complex with the DEAH-box RNA helicase Dhr1 (State F) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-24 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structure of 90S small ribosomal precursors complex with Dhr1
To Be Published
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7D5S
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S12, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state A2)
To Be Published
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7D5T
 | | Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1) | | Descriptor: | 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... | | Authors: | Du, Y, Zhang, J, An, W, Ye, K. | | Deposit date: | 2020-09-28 | | Release date: | 2021-10-06 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
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4IDI
 | | Crystal Structure of Rurm1-related protein from Plasmodium Yoelii, PY06420 | | Descriptor: | GLYCEROL, Oryza sativa Rurm1-related | | Authors: | Wernimont, A.K, Tempel, W, Lew, J, Walker, J, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Bountra, C, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-12 | | Release date: | 2013-12-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Rurm1-related protein from Plasmodium Yoelii, PY06420
To be Published
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4IBG
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | GLYCEROL, PHOSPHATE ION, 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 (1.413 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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4IBB
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | | 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, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-12-08 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.752 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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3RT7
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-glucose | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3R1K
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with CoA and an acetamide moiety | | Descriptor: | ACETAMIDE, COENZYME A, Enhanced intracellular survival protein | | Authors: | Biswas, T, Chen, W, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2011-03-10 | | Release date: | 2011-06-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Unusual regioversatility of acetyltransferase Eis, a cause of drug resistance in XDR-TB.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4IBD
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | | 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 (1.84 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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4IGX
 | | Crystal structure of kirola (Act d 11) - triclinic form | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kirola, ... | | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | | Deposit date: | 2012-12-18 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins.
Mol.Immunol., 56, 2013
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