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8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-16
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SL7
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BU of 8sl7 by Molmil
Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
Descriptor: (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
6CJ7
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BU of 6cj7 by Molmil
Crystal structure of Manduca sexta Serine protease inhibitor (Serpin)-12
Descriptor: Serpin-12
Authors:Gulati, M, Hu, Y, Peng, S, Pathak, P.K, Wang, Y, Deng, J, Jiang, H.
Deposit date:2018-02-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Manduca sexta serpin-12 controls the prophenoloxidase activation system in larval hemolymph.
Insect Biochem. Mol. Biol., 99, 2018
6EE9
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BU of 6ee9 by Molmil
Cytokine-like Peptide Stress-response Peptide-1 from Manduca Sexta
Descriptor: Stress-response Peptide-1
Authors:Schrag, L.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Solution Structure and Expression Profile of Stress Response Peptide-1: A Cytokine from Manduca sexta
To be published
7CUN
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BU of 7cun by Molmil
The structure of human Integrator-PP2A complex
Descriptor: Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ...
Authors:Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y.
Deposit date:2020-08-23
Release date:2020-11-25
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase.
Science, 370, 2020
4RZH
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BU of 4rzh by Molmil
Crystal structure of FabG from Synechocystis sp. PCC 6803
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase
Authors:Liu, Y, Xue, S.
Deposit date:2014-12-22
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
4RZI
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BU of 4rzi by Molmil
Crystal structure of PhaB from Synechocystis sp. PCC 6803
Descriptor: 3-ketoacyl-acyl carrier protein reductase
Authors:Xue, S, Liu, Y.
Deposit date:2014-12-22
Release date:2015-09-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.891 Å)
Cite:Structure-directed construction of a high-performance version of the enzyme FabG from the photosynthetic microorganism Synechocystis sp. PCC 6803.
Febs Lett., 589, 2015
4RR5
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BU of 4rr5 by Molmil
The crystal structure of Synechocystis sp. PCC 6803 Malonyl-CoA: ACP Transacylase
Descriptor: ACETATE ION, Malonyl CoA-acyl carrier protein transacylase
Authors:Liu, Y.
Deposit date:2014-11-06
Release date:2015-07-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:Structural and biochemical characterization of MCAT from photosynthetic microorganism Synechocystis sp. PCC 6803 reveal its stepwise catalytic mechanism
Biochem.Biophys.Res.Commun., 457, 2015
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
Descriptor: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Niu, Y, Wang, H, Zhang, Y, Feng, Y.
Deposit date:2019-09-18
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
5TIW
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BU of 5tiw by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Racemic Oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, BICINE, CALCIUM ION, ...
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5TA8
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BU of 5ta8 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor
Descriptor: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TA6
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BU of 5ta6 by Molmil
Crystal structure of PLK1 in complex with a novel 5,6-dihydroimidazolo[1,5-f]pteridine inhibitor.
Descriptor: 4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Serine/threonine-protein kinase PLK1, ZINC ION
Authors:Skene, R.J, Hosfield, D.J.
Deposit date:2016-09-09
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5TIX
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BU of 5tix by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/R-oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5TIV
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BU of 5tiv by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5TIY
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BU of 5tiy by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/S-oxamniquine Complex
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5TIZ
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BU of 5tiz by Molmil
Schistosoma japonicum (Blood Fluke) Sulfotransferase
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase
Authors:Taylor, A.B, Hart, P.J.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy.
J. Biol. Chem., 292, 2017
5W54
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BU of 5w54 by Molmil
Cytokine-like Stress Response Peptide-2 in Manduca Sexta
Descriptor: Stress Response Peptide-2
Authors:Schrag, L.G, Herrera, A.I, Prakash, O.
Deposit date:2017-06-14
Release date:2017-07-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure and Expression Profile of an Insect Cytokine: Manduca sexta Stress Response Peptide-2.
Protein Pept. Lett., 24, 2017
3GQF
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BU of 3gqf by Molmil
Structural and Biophysical Properties of the Pathogenic SOD1 Variant H46R/H48Q
Descriptor: CALCIUM ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Winkler, D.D, Schuermann, J.P, Hart, P.J.
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biophysical properties of the pathogenic SOD1 variant H46R/H48Q.
Biochemistry, 48, 2009
6KXG
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BU of 6kxg by Molmil
Crystal structure of caspase-11-CARD
Descriptor: caspase-11-CARD
Authors:Liu, M.Z.Y, Jin, T.C.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.
Cell Discov, 6, 2020
4J52
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BU of 4j52 by Molmil
Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor
Descriptor: 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Hosfield, D.J, Skene, R.J.
Deposit date:2013-02-07
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
4J53
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BU of 4j53 by Molmil
Crystal structure of PLK1 in complex with TAK-960
Descriptor: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Hosfield, D.J, Skene, R.J.
Deposit date:2013-02-07
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
2KCJ
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BU of 2kcj by Molmil
solution structure of FAPP1 PH domain
Descriptor: Pleckstrin homology domain-containing family A member 3
Authors:Lenoir, M, Coskun, U, James, J, Simons, K, Overduin, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Structural basis of wedging the Golgi membrane by FAPP pleckstrin homology domains.
Embo Rep., 11, 2010
2NNX
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BU of 2nnx by Molmil
Crystal Structure of the H46R, H48Q double mutant of human [Cu-Zn] Superoxide Dismutase
Descriptor: SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION
Authors:Schuermann, J.P, Hart, P.J.
Deposit date:2006-10-24
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Disease-associated mutations at copper ligand histidine residues of superoxide dismutase 1 diminish the binding of copper and compromise dimer stability
J.Biol.Chem., 282, 2007
5YKO
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BU of 5yko by Molmil
Crystal structure of Arabidopsis thaliana JMJ14 catalytic domain in complex with NOG and H3K4me3 peptide
Descriptor: H3(1-10)K4me3 peptide, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Yang, Z, Du, J.
Deposit date:2017-10-15
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
5YKN
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BU of 5ykn by Molmil
crystal structure of Arabidopsis thaliana JMJ14 catalytic domain
Descriptor: NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION
Authors:Yang, Z, Du, J.
Deposit date:2017-10-15
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018

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