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8GIJ
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BU of 8gij by Molmil
TEM-1 Beta Lactamase Variant 80.b
Descriptor: TEM-1 Beta Lactmase Variant 80.b
Authors:Fram, B.F, Gauthier, N.P, Khan, A, Sander, C.
Deposit date:2023-03-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Simultaneous enhancement of multiple functional properties using evolution-informed protein design
To be published
5TSH
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BU of 5tsh by Molmil
PilB from Geobacter metallireducens bound to AMP-PNP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L.
Deposit date:2016-10-28
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017
5TSG
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BU of 5tsg by Molmil
PilB from Geobacter metallireducens bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ...
Authors:McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L.
Deposit date:2016-10-28
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4011 Å)
Cite:The molecular mechanism of the type IVa pilus motors.
Nat Commun, 8, 2017
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
Descriptor: Isoform 2 of Replication stress response regulator SDE2
Authors:Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
Deposit date:2021-06-17
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022
4XRT
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BU of 4xrt by Molmil
Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway
Descriptor: FORMIC ACID, StfQ Aromatase/Cyclase
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRW
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BU of 4xrw by Molmil
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
5UC4
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BU of 5uc4 by Molmil
Hsp90b N-terminal domain with inhibitors
Descriptor: 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Deng, J, Peng, S, Balch, M, Matts, R.
Deposit date:2016-12-21
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCI
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BU of 5uci by Molmil
Hsp90b N-terminal domain with inhibitors
Descriptor: (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Peng, S, Balch, M, Matts, R, Deng, J.
Deposit date:2016-12-22
Release date:2018-01-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCH
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BU of 5uch by Molmil
Hsp90b N-terminal domain with inhibitors
Descriptor: 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Peng, S, Balch, M, Matts, R, Deng, J.
Deposit date:2016-12-22
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
5UCJ
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BU of 5ucj by Molmil
Hsp90b N-terminal domain with inhibitors
Descriptor: (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-beta
Authors:Peng, S, Balch, M, Matts, R, Deng, J.
Deposit date:2016-12-22
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.693 Å)
Cite:Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
7W5U
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BU of 7w5u by Molmil
Acetyl-CoA Carboxylase-AccB
Descriptor: Acetyl-CoA carboxylase complex, beta-chain, GLYCEROL, ...
Authors:Ali, I, Zheng, J.
Deposit date:2021-11-30
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Crystal structure of Acetyl-CoA carboxylase (AccB) from Streptomyces antibioticus and insights into the substrate-binding through in silico mutagenesis and biophysical investigations.
Comput Biol Med, 145, 2022
5NC8
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BU of 5nc8 by Molmil
Shewanella denitrificans Kef CTD in AMP bound form
Descriptor: ADENOSINE MONOPHOSPHATE, Potassium efflux system protein
Authors:Pliotas, C, Naismith, J.H.
Deposit date:2017-03-03
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Adenosine Monophosphate Binding Stabilizes the KTN Domain of the Shewanella denitrificans Kef Potassium Efflux System.
Biochemistry, 56, 2017
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
5WLE
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BU of 5wle by Molmil
Crystal structure of the PPS PHD finger in complex with H3K4me3
Descriptor: H3K4me3 Peptide, Protein partner of snf, isoform A, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2017-07-26
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
5WLF
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BU of 5wlf by Molmil
Crystal structure of the apo PPS PHD finger
Descriptor: GLYCEROL, Protein partner of snf, isoform A, ...
Authors:Klein, B.J, Kutateladze, T.G.
Deposit date:2017-07-26
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Unique pH-Dependent Recognition of Methylated Histone H3K4 by PPS and DIDO.
Structure, 25, 2017
4BHT
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BU of 4bht by Molmil
Structural Determinants of Cofactor Specificity and Domain Flexibility in Bacterial Glutamate Dehydrogenases
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NADP-SPECIFIC GLUTAMATE DEHYDROGENASE, ...
Authors:Oliveira, T, Sharkey, M, Engel, P, Khan, A.
Deposit date:2013-04-06
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Nadp(+) -Dependent Glutamate Dehydrogenase from Escherichia Coli: Reflections on the Basis of Coenzyme Specificity in the Family of Glutamate Dehydrogenases.
FEBS J., 280, 2013
5UDD
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BU of 5udd by Molmil
Crystal Structure of RSV F B9320 Bound to MEDI8897
Descriptor: Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, MEDI8897 Fab Light Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UDC
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BU of 5udc by Molmil
Crystal Structure of RSV F A2 Bound to MEDI8897
Descriptor: CHLORIDE ION, Fusion glycoprotein F0, MEDI8897 Fab Heavy Chain, ...
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
5UDE
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BU of 5ude by Molmil
Crystal Structure of RSV F B9320 DS-Cav1
Descriptor: Fusion glycoprotein F0, SULFATE ION
Authors:McLellan, J.S.
Deposit date:2016-12-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A highly potent extended half-life antibody as a potential RSV vaccine surrogate for all infants.
Sci Transl Med, 9, 2017
8UBY
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BU of 8uby by Molmil
Choline-bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
8UBZ
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BU of 8ubz by Molmil
Choline-bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
8UBX
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BU of 8ubx by Molmil
Ethanolamine-bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, ETHANOLAMINE, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
8UC0
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BU of 8uc0 by Molmil
Endogenous ligand bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024
8UBW
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BU of 8ubw by Molmil
Choline-bound FLVCR1
Descriptor: CHOLESTEROL HEMISUCCINATE, CHOLINE ION, Heme transporter FLVCR1
Authors:Hite, R.K, Son, Y.
Deposit date:2023-09-25
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1.
Nature, 629, 2024

 

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