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6N7R
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BU of 6n7r by Molmil
Saccharomyces cerevisiae spliceosomal E complex (ACT1)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA, Pre-mRNA-processing factor 39, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-28
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
7JOV
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BU of 7jov by Molmil
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide, ...
Authors:Muckelbauer, J.K.
Deposit date:2020-08-07
Release date:2020-09-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Discovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Bioorg.Med.Chem.Lett., 30, 2020
8KHQ
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BU of 8khq by Molmil
Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine
Descriptor: 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ...
Authors:Wang, J, Ye, K, Wang, X.Y, Yan, W.P.
Deposit date:2023-08-22
Release date:2023-12-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
6NAE
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BU of 6nae by Molmil
Crystal Structure of Ebola zaire GP protein with bound ARN0074898
Descriptor: (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6NCU
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BU of 6ncu by Molmil
Interleukin-37 residues 53-206- dimer
Descriptor: Interleukin-37
Authors:Eisenmesser, E.Z.
Deposit date:2018-12-12
Release date:2019-03-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Interleukin-37 monomer is the active form for reducing innate immunity.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6N7P
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BU of 6n7p by Molmil
S. cerevisiae spliceosomal E complex (UBC4)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, Nuclear cap-binding protein complex subunit 1, Nuclear cap-binding protein subunit 2, ...
Authors:Liu, S, Li, X, Zhou, Z.H, Zhao, R.
Deposit date:2018-11-27
Release date:2019-09-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A unified mechanism for intron and exon definition and back-splicing.
Nature, 573, 2019
6NX1
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BU of 6nx1 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL
Descriptor: 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2019-02-07
Release date:2020-02-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
7DNC
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BU of 7dnc by Molmil
Crystal structure of EV71 3C proteinase in complex with a novel inhibitor
Descriptor: 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
Deposit date:2020-12-09
Release date:2021-05-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
7DC6
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BU of 7dc6 by Molmil
Giant panda MHC class I complexes
Descriptor: Beta-2-microglobulin, CCV-NGY9 peptide from Spike protein, MHC class I antigen
Authors:Yuan, H, Xia, C.
Deposit date:2020-10-23
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of the giant panda MHC class I complex: First insights into the viral peptide presentation profile in the bear family.
Protein Sci., 29, 2020
7D64
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BU of 7d64 by Molmil
The crystal structure of SARS-CoV-2 3CLpro with Zinc
Descriptor: 3C-like proteinase, ZINC ION
Authors:Mao, Z.W, Xia, W, Tao, X.
Deposit date:2020-09-29
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.450116 Å)
Cite:Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol.
J.Inorg.Biochem., 231, 2022
3EZX
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BU of 3ezx by Molmil
Structure of Methanosarcina barkeri monomethylamine corrinoid protein
Descriptor: 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
Authors:Jain, R.
Deposit date:2008-10-23
Release date:2009-12-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of Methanosarcina barkeri monomethylamine corrinoid protein
TO BE PUBLISHED
3SO4
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BU of 3so4 by Molmil
Methionine-adenosyltransferase from Entamoeba histolytica
Descriptor: ACETATE ION, Methionine-adenosyltransferase
Authors:Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Methionine-adenosyltransferase from Entamoeba histolytica
To be Published
3RX4
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BU of 3rx4 by Molmil
Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3RX2
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BU of 3rx2 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
3F75
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BU of 3f75 by Molmil
Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2008-11-07
Release date:2008-11-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
3RX3
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BU of 3rx3 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3T8R
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BU of 3t8r by Molmil
Crystal structure of Staphylococcus aureus CymR
Descriptor: Staphylococcus aureus CymR
Authors:He, C, Ji, Q.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
3FIV
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BU of 3fiv by Molmil
CRYSTAL STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH A SUBSTRATE
Descriptor: ACE-ALN-VAL-LEU-ALA-GLU-ALN-NH2, FELINE IMMUNODEFICIENCY VIRUS PROTEASE, SULFATE ION
Authors:Schalk-Hihi, C, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
Deposit date:1997-07-09
Release date:1997-11-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of the inactive D30N mutant of feline immunodeficiency virus protease complexed with a substrate and an inhibitor.
Biochemistry, 36, 1997
3G3E
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BU of 3g3e by Molmil
Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)
Descriptor: 3-hydroxyquinolin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Duplantier, A, Liu, S.
Deposit date:2009-02-02
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery, SAR, and pharmacokinetics of a novel 3-Hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors
J.Med.Chem., 52, 2009
3TFQ
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BU of 3tfq by Molmil
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
Descriptor: 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2011-08-16
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 21, 2011
3T8T
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BU of 3t8t by Molmil
Crystal structure of Staphylococcus aureus CymR oxidized form
Descriptor: Staphylococcus aureus CymR (oxidized form)
Authors:He, C, Ji, Q.
Deposit date:2011-08-01
Release date:2012-05-16
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Staphylococcus aureus CymR Is a New Thiol-based Oxidation-sensing Regulator of Stress Resistance and Oxidative Response.
J.Biol.Chem., 287, 2012
3S3G
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BU of 3s3g by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Tolmetin
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-18
Release date:2012-04-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
Deposit date:2021-03-02
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
3TTF
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BU of 3ttf by Molmil
Crystal structure of E. coli HypF with AMP and carbamoyl phosphate
Descriptor: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-14
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
3TSQ
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BU of 3tsq by Molmil
Crystal structure of E. coli HypF with ATP and Carbamoyl phosphate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, MAGNESIUM ION, Transcriptional regulatory protein, ...
Authors:Petkun, S, Shi, R, Li, Y, Cygler, M.
Deposit date:2011-09-13
Release date:2011-12-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011

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