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5C7E
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BU of 5c7e by Molmil
Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal domain (1-209) in complex with Arabidopsis IAA10 peptide
Descriptor: ASPR2 protein, Auxin-responsive protein IAA10, ZINC ION
Authors:Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
Deposit date:2015-06-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
6COX
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BU of 6cox by Molmil
CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 IN I222 SPACE GROUP
Descriptor: 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL-5-PARABROMOPHENYLPYRAZOLE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOOXYGENASE-2, ...
Authors:Kurumbail, R, Stallings, W.
Deposit date:1996-12-18
Release date:1997-12-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents.
Nature, 384, 1996
6MW8
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BU of 6mw8 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kim, H.W, Wood, Z.A, West, C.M.
Deposit date:2018-10-29
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
3WXB
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BU of 3wxb by Molmil
Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver
Descriptor: 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein
Authors:Yoneda, K, Sakuraba, H, Fukuda, Y, Sone, T, Araki, T, Ohshima, T.
Deposit date:2014-07-29
Release date:2015-07-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel NAD(P)H-dependent carbonyl reductase specifically expressed in the thyroidectomized chicken fatty liver: catalytic properties and crystal structure.
Febs J., 282, 2015
7LS9
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BU of 7ls9 by Molmil
Cryo-EM structure of neutralizing antibody 1-57 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 1-57 Fab heavy chain, 1-57 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2021-02-17
Release date:2021-03-17
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
5GOV
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BU of 5gov by Molmil
Crystal Structure of MCR-1, a phosphoethanolamine transferase, extracellular domain
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Hu, M, Guo, J, Chen, S, Hao, Q.
Deposit date:2016-07-29
Release date:2016-12-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal Structure of Escherichia coli originated MCR-1, a phosphoethanolamine transferase for Colistin Resistance.
Sci Rep, 6, 2016
6G46
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BU of 6g46 by Molmil
Red kidney bean purple acid phosphatase in complex with 2-(Naphthalen-1-yl)thiazole-4-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid, ...
Authors:Feder, D.F.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
Eur J Med Chem, 157, 2018
6GCS
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BU of 6gcs by Molmil
Cryo-EM structure of respiratory complex I from Yarrowia lipolytica
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 24-KDA SUBUNIT (NUHM), 30-KDA PROTEIN (NUGM), ...
Authors:Parey, K, Vonck, J.
Deposit date:2018-04-19
Release date:2018-10-10
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Cryo-EM structure of respiratory complex I at work.
Elife, 7, 2018
6AA4
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BU of 6aa4 by Molmil
Crystal structure of MTH1 in complex with alpha-mangostin (cocktail No. 9)
Descriptor: 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ...
Authors:Yokoyama, T, Kitakami, R, Mizuguchi, M.
Deposit date:2018-07-17
Release date:2019-03-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening.
Eur J Med Chem, 167, 2019
3KSZ
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BU of 3ksz by Molmil
Crystal Structure of C151S+H178N mutant of Glyceraldehyde-3-phosphate-dehydrogenase 1 (GAPDH 1) from Staphylococcus aureus MRSA252 complexed with NAD and G3P
Descriptor: 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-11-24
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3L08
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BU of 3l08 by Molmil
Structure of Pi3K gamma with a potent inhibitor: GSK2126458
Descriptor: 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Elkins, P.A, Marrero, E.M.
Deposit date:2009-12-09
Release date:2010-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of GSK2126458, a Highly Potent Inhibitor of PI3K and the Mammalian Target of Rapamycin.
ACS Med Chem Lett, 1, 2010
5ZV3
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BU of 5zv3 by Molmil
Crystal structure of human anti-tau antibody CBTAU-28.1 in complex with its tau peptide
Descriptor: Heavy chain of antibody CBTAU28.1, Light chain (kappa) of antibody CBTAU28.1, Peptide from Microtubule-associated protein tau
Authors:Zhang, H, Wilson, I.A.
Deposit date:2018-05-09
Release date:2018-06-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
9C0V
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BU of 9c0v by Molmil
Crystal structure of chimeric hemagglutinin cH5/1 in complex with broad protective antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 3E1 Fab heavy chain, Antibody 3E1 Fab light chain, ...
Authors:Nguyen, T.K.Y, Wilson, I.A.
Deposit date:2024-05-27
Release date:2025-01-29
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural characterization of influenza group 1 chimeric hemagglutinins as broad vaccine immunogens.
Proc.Natl.Acad.Sci.USA, 122, 2025
1AV6
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BU of 1av6 by Molmil
VACCINIA METHYLTRANSFERASE VP39 COMPLEXED WITH M7G CAPPED RNA HEXAMER AND S-ADENOSYLHOMOCYSTEINE
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, RNA (5'-R(*GP*AP*AP*AP*AP*A)-3'), ...
Authors:Hodel, A.E, Gershon, P.D, Quiocho, F.A.
Deposit date:1997-09-26
Release date:1998-02-25
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for sequence-nonspecific recognition of 5'-capped mRNA by a cap-modifying enzyme.
Mol.Cell, 1, 1998
5M77
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BU of 5m77 by Molmil
a GH76 family enzyme structure
Descriptor: 1,2-ETHANEDIOL, 1-thio-alpha-D-mannopyranose-(1-6)-[(3S,4R,5R)-4,5-dihydroxypiperidin-3-yl]methyl 1-thio-alpha-D-mannopyranoside, Alpha-1,6-mannanase
Authors:Jin, Y, Williams, S, Davies, G.
Deposit date:2016-10-26
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-alpha-mannanase inhibitor.
Chem. Commun. (Camb.), 53, 2017
5THV
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BU of 5thv by Molmil
Crystal Structure of G305A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5THT
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BU of 5tht by Molmil
Crystal Structure of G303A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
7EO3
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BU of 7eo3 by Molmil
X-ray structure analysis of beita-1,3-glucanase
Descriptor: 1,3-beta-glucanase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION
Authors:Wan, Q, Feng, J, Xu, S.
Deposit date:2021-04-21
Release date:2022-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.141 Å)
Cite:Identification and structural analysis of a thermophilic beta-1,3-glucanase from compost
Bioresour Bioprocess, 8, 2021
6AAR
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BU of 6aar by Molmil
Crystal structure of DAPK1 in complex with purpurin
Descriptor: Death-associated protein kinase 1, Purpurin
Authors:Yokoyama, T, Mizuguchi, M.
Deposit date:2018-07-19
Release date:2019-07-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and thermodynamic analyses of interactions between death-associated protein kinase 1 and anthraquinones.
Acta Crystallogr D Struct Biol, 76, 2020
3L4S
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BU of 3l4s by Molmil
Crystal structure of C151G mutant of Glyceraldehyde 3-phosphate dehydrogenase 1 (GAPDH1) from methicillin resistant Staphylococcus aureus MRSA252 complexed with NAD and G3P
Descriptor: 3-PHOSPHOGLYCERIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2009-12-21
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glyceraldehyde-3-phosphate dehydrogenase 1 from methicillin-resistant Staphylococcus aureus MRSA252 provides novel insights into substrate binding and catalytic mechanism.
J.Mol.Biol., 401, 2010
3GIU
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BU of 3giu by Molmil
1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-03-06
Release date:2009-03-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 Angstrom Crystal Structure of Pyrrolidone-Carboxylate Peptidase (pcp) from Staphylococcus aureus
TO BE PUBLISHED
4ZM9
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BU of 4zm9 by Molmil
Crystal structure of circularly permuted human asparaginase-like protein 1
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CITRATE ANION, ...
Authors:Li, W.Z, Zhang, Y.
Deposit date:2015-05-02
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Intramolecular Cleavage of the hASRGL1 Homodimer Occurs in Two Stages.
Biochemistry, 55, 2016
9C22
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BU of 9c22 by Molmil
Crystal structure of chimeric hemagglutinin cH11/1 in complex with broad protective antibody 3E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 3E1 Fab heavy chain, ...
Authors:Nguyen, T.K.Y, Wilson, I.A.
Deposit date:2024-05-30
Release date:2025-05-07
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Structural characterization of influenza group 1 chimeric hemagglutinins as broad vaccine immunogens.
Proc.Natl.Acad.Sci.USA, 122, 2025
9C0U
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BU of 9c0u by Molmil
Crystal structure of chimeric hemagglutinin cH5/1 in complex with broad protective antibody 31.b.09
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 31.b.09 Fab heavy chain, ...
Authors:Nguyen, T.K.Y, Zhu, X, Wilson, I.A.
Deposit date:2024-05-27
Release date:2025-05-07
Last modified:2025-05-28
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural characterization of influenza group 1 chimeric hemagglutinins as broad vaccine immunogens.
Proc.Natl.Acad.Sci.USA, 122, 2025
4L03
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BU of 4l03 by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013

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