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PDB: 97 results

3K75
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BU of 3k75 by Molmil
X-ray crystal structure of reduced XRCC1 bound to DNA pol beta catalytic domain
Descriptor: DNA polymerase beta, DNA repair protein XRCC1
Authors:Cuneo, M.J, London, R.E.
Deposit date:2009-10-12
Release date:2010-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity.
Proc.Natl.Acad.Sci.USA, 107, 2010
6DTU
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BU of 6dtu by Molmil
Maltotetraose bound T. maritima MalE1
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE1
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
8DWT
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BU of 8dwt by Molmil
SPOP W22R Form 2
Descriptor: Speckle-type POZ protein
Authors:Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H.
Deposit date:2022-08-02
Release date:2023-01-18
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
8DWV
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BU of 8dwv by Molmil
Full-length wild type SPOP
Descriptor: Speckle-type POZ protein
Authors:Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H.
Deposit date:2022-08-02
Release date:2023-01-18
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
8DWS
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BU of 8dws by Molmil
Full-length E47K SPOP
Descriptor: Speckle-type POZ protein
Authors:Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H.
Deposit date:2022-08-02
Release date:2023-01-18
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
2IPL
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BU of 2ipl by Molmil
Crystal structure of a disulfide mutant glucose binding protein
Descriptor: CALCIUM ION, D-galactose-binding periplasmic protein, beta-D-glucopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2006-10-12
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The free energy cost of domain reorganization in E. coli glucose binding protein
To be Published
6DTR
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BU of 6dtr by Molmil
Apo T. maritima MalE3
Descriptor: SULFATE ION, maltose-binding protein MalE3
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
6DTS
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BU of 6dts by Molmil
Maltotetraose bound T. maritima MalE2
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose-binding protein MalE2
Authors:Cuneo, M.J, Shukla, S.
Deposit date:2018-06-18
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Differential Substrate Recognition by Maltose Binding Proteins Influenced by Structure and Dynamics.
Biochemistry, 57, 2018
2O7I
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BU of 2o7i by Molmil
The X-ray crystal structure of a thermophilic cellobiose binding protein bound with cellobiose
Descriptor: Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Cuneo, M.J, Hellinga, H.W.
Deposit date:2006-12-11
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold.
J.Biol.Chem., 284, 2009
6MB9
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BU of 6mb9 by Molmil
Ternary (neomycin/CoA) structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, COENZYME A, NEOMYCIN, ...
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB8
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BU of 6mb8 by Molmil
Apo structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, CHLORIDE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6NMM
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BU of 6nmm by Molmil
Ternary complex structure of the T130K mutant of ANT-4 with Neomycin, AMPCPP and Pyrophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, Kanamycin nucleotidyltransferase, MAGNESIUM ION, ...
Authors:Cuneo, M.J, Selvaraj, B.
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:'Catch and Release": a Variation of the Archetypal Nucleotidyl Transfer Reaction
Acs Catalysis, 2020
6BBR
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BU of 6bbr by Molmil
Room temperature neutron/X-ray structure of AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-19
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.002 Å), X-RAY DIFFRACTION
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC2
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BU of 6bc2 by Molmil
Cryo X-ray structure of acetylsisomicin bound AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION, acetylsisomicin
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.195 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC7
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BU of 6bc7 by Molmil
Cryo X-ray structure of sisomicin bound AAC-VIa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, ACETATE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC3
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BU of 6bc3 by Molmil
Cryo X-ray structure of sisomicin bound AAC-VIa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, COENZYME A
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC5
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BU of 6bc5 by Molmil
Cryo X-ray structure of coenzyme A bound AAC-VIa
Descriptor: AAC 3-VI protein, COENZYME A
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BBZ
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BU of 6bbz by Molmil
Room temperature neutron/X-ray structure of sisomicin bound AAC-VIa
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, AAC 3-VI protein, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6BC4
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BU of 6bc4 by Molmil
Cryo X-ray structure of acetyl coenzyme A bound AAC-VIa
Descriptor: AAC 3-VI protein, ACETYL COENZYME *A
Authors:Cuneo, M.J, Kumar, P, Serpersu, E.H.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6MB4
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BU of 6mb4 by Molmil
Binary (sisomicin) structure of AAC-IIIb
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aac(3)-IIIb protein
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB6
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BU of 6mb6 by Molmil
AAC-IIIb binary with CoASH
Descriptor: Aac(3)-IIIb protein, COENZYME A, MALONATE ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB5
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BU of 6mb5 by Molmil
AAC-IIIb binary with NEOMYCIN
Descriptor: Aac(3)-IIIb protein, NEOMYCIN
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6MB7
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BU of 6mb7 by Molmil
Binary (paromomycin) structure of AAC-IIIb
Descriptor: Aac(3)-IIIb protein, PAROMOMYCIN
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2018-08-29
Release date:2018-11-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
6BC6
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BU of 6bc6 by Molmil
Cryo X-ray structure of apo AAC-VIa
Descriptor: AAC 3-VI protein, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2017-10-20
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
6PH0
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BU of 6ph0 by Molmil
T4 lysozyme pseudo-wild type soaked in TEMPO
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin
Authors:Cuneo, M.J, Myles, D.A, Li, L.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published

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