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6C9Y
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BU of 6c9y by Molmil
Cryo-EM structure of E. coli RNAP sigma70 holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Narayanan, A, Vago, F, Li, K, Qayyum, M.Z, Yenool, D, Jiang, W, Murakami, K.S.
Deposit date:2018-01-29
Release date:2018-02-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Cryo-EM structure ofEscherichia colisigma70RNA polymerase and promoter DNA complex revealed a role of sigma non-conserved region during the open complex formation.
J. Biol. Chem., 293, 2018
6CA0
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BU of 6ca0 by Molmil
Cryo-EM structure of E. coli RNAP sigma70 open complex
Descriptor: DNA (35-MER), DNA (45-MER), DNA (5'-D(P*GP*CP*CP*GP*CP*GP*TP*CP*AP*GP*A)-3'), ...
Authors:Narayanan, A, Vago, F, Li, K, Qayyum, M.Z, Yernool, D, Jiang, W, Murakami, K.S.
Deposit date:2018-01-29
Release date:2018-02-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.75 Å)
Cite:Cryo-EM structure ofEscherichia colisigma70RNA polymerase and promoter DNA complex revealed a role of sigma non-conserved region during the open complex formation.
J. Biol. Chem., 293, 2018
4KFC
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BU of 4kfc by Molmil
Crystal structure of a hyperactive mutant of response regulator KdpE complexed to its promoter DNA
Descriptor: KDP operon transcriptional regulatory protein KdpE, Promoter DNA
Authors:Kumar, S, Narayanan, A, Yernool, D.A.
Deposit date:2013-04-26
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:An asymmetric heterodomain interface stabilizes a response regulator-DNA complex.
Nat Commun, 5, 2014
4KNY
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BU of 4kny by Molmil
Crystal structure of the response regulator KdpE complexed to DNA in an active-like conformation
Descriptor: KDP operon transcriptional regulatory protein KdpE, Promoter DNA
Authors:Kumar, S, Narayanan, A, Yernool, D.A.
Deposit date:2013-05-10
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.945 Å)
Cite:An asymmetric heterodomain interface stabilizes a response regulator-DNA complex.
Nat Commun, 5, 2014
2RGN
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BU of 2rgn by Molmil
Crystal Structure of p63RhoGEF complex with Galpha-q and RhoA
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ...
Authors:Shankaranarayanan, A, Nance, M.R, Tesmer, J.J.G.
Deposit date:2007-10-04
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of Galphaq-p63RhoGEF-RhoA complex reveals a pathway for the activation of RhoA by GPCRs.
Science, 318, 2007
3GIA
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BU of 3gia by Molmil
Crystal Structure of ApcT Transporter
Descriptor: BICINE, DECANE, Uncharacterized protein MJ0609
Authors:Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3GI9
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BU of 3gi9 by Molmil
Crystal Structure of ApcT Transporter Bound to 7F11 Monoclonal Fab Fragment
Descriptor: 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, 7F11 Anti-ApcT Monoclonal Fab Light Chain, Uncharacterized protein MJ0609
Authors:Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2017-06-07
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3GI8
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BU of 3gi8 by Molmil
Crystal Structure of ApcT K158A Transporter Bound to 7F11 Monoclonal Fab Fragment
Descriptor: 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, 7F11 Anti-ApcT Monoclonal Fab Light Chain, Uncharacterized protein MJ0609
Authors:Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2009-03-05
Release date:2009-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3ZQ7
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BU of 3zq7 by Molmil
The Structure of DNA-binding domain of response regulator from Escherichia coli K-12
Descriptor: KDP OPERON TRANSCRIPTIONAL REGULATORY PROTEIN KDPE
Authors:Patil, D.N, Tomar, S, Kumar, P.
Deposit date:2011-06-08
Release date:2012-03-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure-Function Studies of DNA Binding Domain of Response Regulator Kdpe Reveals Equal Affinity Interactions at DNA Half-Sites.
Plos One, 7, 2012
7LBN
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BU of 7lbn by Molmil
X-ray crystal structure of the SARS-CoV-2 main protease with Calpain I Inhibitor
Descriptor: 3C-like proteinase, Calpain I Inhibitor, SULFATE ION
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-01-08
Release date:2021-02-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
7LKE
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BU of 7lke by Molmil
X-ray crystal structure of the SARS-CoV-2 main protease in space group C2
Descriptor: 3C-like proteinase
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-02-02
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
7LKD
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BU of 7lkd by Molmil
X-ray crystal structure of the SARS-CoV-2 main protease in space group P21.
Descriptor: 3C-like proteinase
Authors:Narwal, M, Murakami, K.S.
Deposit date:2021-02-02
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Identification of SARS-CoV-2 inhibitors targeting Mpro and PLpro using in-cell-protease assay.
Commun Biol, 5, 2022
4L85
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BU of 4l85 by Molmil
Crystal structure of receiver domain of KdpE D52A mutant from E. coli
Descriptor: IODIDE ION, KDP operon transcriptional regulatory protein KdpE
Authors:Kumar, S, Yernool, D.A.
Deposit date:2013-06-15
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:An asymmetric heterodomain interface stabilizes a response regulator-DNA complex.
Nat Commun, 5, 2014
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
8PJI
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BU of 8pji by Molmil
MLLT1 in complex with compound 10a
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Protein ENL, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-23
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
8PJ7
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BU of 8pj7 by Molmil
MLLT3 in complex with compound PFI-6
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Raux, B, Diaz-Saez, L, Huber, K.V.M, Fedorov, O, Owen, D.R, Londregan, A.T, Bountra, C, Edwards, A, Arrowsmith, C.
Deposit date:2023-06-22
Release date:2023-11-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Discovery of PFI-6, a small-molecule chemical probe for the YEATS domain of MLLT1 and MLLT3.
Bioorg.Med.Chem.Lett., 98, 2023
7JY3
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BU of 7jy3 by Molmil
Structure of HbA with compound 23 (PF-07059013)
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JY1
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BU of 7jy1 by Molmil
Structure of HbA with compound 19
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Jasti, J.
Deposit date:2020-08-28
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JYI
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BU of 7jyi by Molmil
Subparticle Map of ZIKV MR-766
Descriptor: E Glycoprotein, M protein
Authors:Jose, J, Hafenstein, S.
Deposit date:2020-08-30
Release date:2020-09-16
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Identification of a pocket factor that is critical to Zika virus assembly.
Nat Commun, 11, 2020
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
Descriptor: 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-01
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7QUS
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BU of 7qus by Molmil
SARS-CoV-2 Spike, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-08
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022
7BM8
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BU of 7bm8 by Molmil
Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed with CTP-gamma-S
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Chromosome-partitioning protein ParB, MAGNESIUM ION
Authors:Jalal, A.S, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Le, T.B.K.
Deposit date:2021-01-19
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
6T1F
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BU of 6t1f by Molmil
Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site
Descriptor: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3')
Authors:Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K.
Deposit date:2019-10-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021

 

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