5VP9
 
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3D0Q
 | | Crystal structure of calG3 from Micromonospora echinospora determined in space group I222 | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Protein CalG3 | | Authors: | Bitto, E, Singh, S, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N. | | Deposit date: | 2008-05-02 | | Release date: | 2008-06-24 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 2008
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5W4D
 | | C. japonica N-domain, Selenomethionine mutant | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, ... | | Authors: | Aoki, S.T, Bingman, C.A, Kimble, J. | | Deposit date: | 2017-06-10 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
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3D4Y
 | | GOLGI MANNOSIDASE II complex with mannoimidazole | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ... | | Authors: | Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R. | | Deposit date: | 2008-05-15 | | Release date: | 2008-08-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
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5WKN
 | | Crystal structure of the parainfluenza virus 5 nucleoprotein-phosphoprotein complex | | Descriptor: | Nucleoprotein, Phosphoprotein | | Authors: | Aggarwal, M, Leser, G.P, Kors, C.A, Lamb, R.A. | | Deposit date: | 2017-07-25 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.653 Å) | | Cite: | Structure of the Paramyxovirus Parainfluenza Virus 5 Nucleoprotein in Complex with an Amino-Terminal Peptide of the Phosphoprotein.
J. Virol., 92, 2018
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5WO1
 | | Chaperone Spy H96L bound to Im7 L18A L19A L37A (Im7 un-modeled) | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, IMIDAZOLE, ... | | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | | Deposit date: | 2017-08-01 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Visualizing chaperone-assisted protein folding.
Nat. Struct. Mol. Biol., 23, 2016
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5WO4
 | | JAK1 complexed with compound 28 | | Descriptor: | 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1 | | Authors: | Lesburg, C.A, Patel, S.B. | | Deposit date: | 2017-08-01 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
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3DCY
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7BOT
 | | Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 | | Descriptor: | N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
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7BOS
 | | Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | | Descriptor: | Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ... | | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | | Deposit date: | 2020-03-19 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration.
Rsc Chem Biol, 2, 2021
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3ZK8
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA E205Q IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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3ZK9
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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1NTO
 | | N249Y MUTANT OF ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS-MONOCLINIC CRYSTAL FORM | | Descriptor: | NAD-dependent alcohol dehydrogenase, ZINC ION | | Authors: | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | | Deposit date: | 2003-01-30 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity.
Febs Lett., 539, 2003
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3ZK7
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA IN THE METAL-FREE, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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1H9Q
 | | H119Q CARBONIC ANHYDRASE II | | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-05-29 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
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1H9N
 | | H119N CARBONIC ANHYDRASE II | | Descriptor: | CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-05-29 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
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7ANM
 | | Nudaurelia capensis omega virus capsid: virus-like particles expressed in Nicotiana benthamiana | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2020-10-12 | | Release date: | 2021-08-25 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
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7ATA
 | | Nudaurelia capensis omega virus procapsid: virus-like particles expressed in Nicotiana benthamiana | | Descriptor: | p70 | | Authors: | Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P. | | Deposit date: | 2020-10-29 | | Release date: | 2021-08-25 | | Method: | ELECTRON MICROSCOPY (6.63 Å) | | Cite: | Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
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1NVG
 | | N249Y MUTANT OF THE ALCOHOL DEHYDROGENASE FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS-TETRAGONAL CRYSTAL FORM | | Descriptor: | NAD-dependent alcohol dehydrogenase, ZINC ION | | Authors: | Esposito, L, Bruno, I, Sica, F, Raia, C.A, Giordano, A, Rossi, M, Mazzarella, L, Zagari, A. | | Deposit date: | 2003-02-03 | | Release date: | 2003-08-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural study of a single-point mutant of Sulfolobus solfataricus alcohol dehydrogenase with enhanced activity
Febs Lett., 539, 2003
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1H4N
 | | H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONIC ANHYDRASE II, ZINC ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-05-29 | | Release date: | 1997-09-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
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3HIP
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7COW
 | | 353 bp di-nucleosome harboring cohesive DNA termini with linker histone H1.0 | | Descriptor: | CALCIUM ION, CHLORIDE ION, DNA (353-MER), ... | | Authors: | Adhireksan, Z, Sharma, D, Lee, P.L, Davey, C.A. | | Deposit date: | 2020-08-05 | | Release date: | 2021-08-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Engineering nucleosomes for generating diverse chromatin assemblies.
Nucleic Acids Res., 49, 2021
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3ZKA
 | | CRYSTAL STRUCTURE OF PNEUMOCOCCAL SURFACE ANTIGEN PSAA D280N IN THE METAL-BOUND, OPEN STATE | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN | | Authors: | Counago, R.M, Ween, M.P, Bajaj, M, Zuegg, J, Cooper, M.A, McEwan, A.G, Paton, J.C, Kobe, B, McDevitt, C.A. | | Deposit date: | 2013-01-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Imperfect coordination chemistry facilitates metal ion release in the Psa permease.
Nat. Chem. Biol., 10, 2014
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1PS1
 | | PENTALENENE SYNTHASE | | Descriptor: | PENTALENENE SYNTHASE, TRIMETHYL LEAD ION | | Authors: | Lesburg, C.A, Christianson, D.W. | | Deposit date: | 1997-03-23 | | Release date: | 1998-03-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pentalenene synthase: mechanistic insights on terpenoid cyclization reactions in biology.
Science, 277, 1997
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6DH3
 | | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with darunavir | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2018-05-18 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
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