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8Y7L
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BU of 8y7l by Molmil
Crystal Structure of Nur77 LBD in complex with N-(2'-(4-hydroxypiperidin-1-yl)-[4,4'-bipyridin]-2-yl)cinnamamide
Descriptor: (~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide, Nuclear receptor subfamily 4immunitygroup A member 1
Authors:Hong, W.B, Lin, T.W.
Deposit date:2024-02-04
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:Discovery of a novel exceptionally potent and orally active Nur77 ligand NB1 with a distinct binding mode for cancer therapy
Acta Pharm Sin B, 2024
4RE8
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BU of 4re8 by Molmil
Crystal Structure of TR3 LBD in complex with Molecule 5
Descriptor: 1-(3,4,5-trihydroxyphenyl)dodecan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F.W, Cai, Q.X, Li, A.Z, Tian, X.Y, Weijia, W, Yuan, W, Hou, P.P, Wu, Q, Lin, T.W.
Deposit date:2014-09-22
Release date:2015-09-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Induction of Autophagic Death in Cancer Cells by Agonizing TR3 and Attenuating Akt2 Activity
Chem.Biol., 22, 2015
6X0Q
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BU of 6x0q by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H coordinated with heme
Descriptor: Capsid protein Circular Permutant, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
6X0R
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BU of 6x0r by Molmil
A Circular Permutant of the Tobacco Mosaic Virus (TMV) mutant Q101H
Descriptor: Capsid protein Circular Permutant
Authors:Dai, J, Knott, G.J, Francis, M.B.
Deposit date:2020-05-17
Release date:2020-12-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein-Embedded Metalloporphyrin Arrays Templated by Circularly Permuted Tobacco Mosaic Virus Coat Proteins.
Acs Nano, 15, 2021
1B35
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BU of 1b35 by Molmil
CRICKET PARALYSIS VIRUS (CRPV)
Descriptor: PROTEIN (CRICKET PARALYSIS VIRUS, VP1), VP2), ...
Authors:Tate, J.G, Liljas, L, Scotti, P.D, Christian, P.D, Lin, T.W, Johnson, J.E.
Deposit date:1998-12-17
Release date:1999-08-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of cricket paralysis virus: the first view of a new virus family.
Nat.Struct.Biol., 6, 1999
5KWX
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BU of 5kwx by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D1
Descriptor: Designed peptide NC_EEH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KWO
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BU of 5kwo by Molmil
NMR Solution Structure of Designed Peptide NC_EHE_D1
Descriptor: Designed peptide NC_EHE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-18
Release date:2016-09-21
Last modified:2016-11-02
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
Descriptor: Designed peptide NC_cEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
Descriptor: Designed peptide NC_cHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5JI4
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BU of 5ji4 by Molmil
Solution structure of the de novo mini protein gEEHE_02
Descriptor: W37
Authors:Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5JHI
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BU of 5jhi by Molmil
Solution structure of the de novo mini protein gEHE_06
Descriptor: W35
Authors:Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
Descriptor: CHLORIDE ION, GLYCEROL, de novo design, ...
Authors:Rupert, P.B, Johnsen, W.A.
Deposit date:2016-04-19
Release date:2016-09-28
Last modified:2016-11-02
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KX0
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BU of 5kx0 by Molmil
NMR Solution Structure of Designed Peptide NC_cHh_DL_D1
Descriptor: Designed peptide NC_cHh_DL_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KWP
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BU of 5kwp by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D2
Descriptor: Designed peptide NC_EEH_D2
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-18
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KX1
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BU of 5kx1 by Molmil
NMR Solution Structure of Designed Peptide NC_cHHH_D1
Descriptor: Designed peptide NC_cHHH_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-19
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KVN
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BU of 5kvn by Molmil
NMR Solution Structure of Designed Peptide NC_HEE_D1
Descriptor: Designed peptide NC_HEE_D1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2016-07-14
Release date:2016-09-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5HUO
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BU of 5huo by Molmil
Crystal Structure of NadC Deletion Mutant in C2221 Space Group
Descriptor: Nicotinate-nucleotide diphosphorylase (Carboxylating), SULFATE ION
Authors:Booth, W.T, Chruszcz, M.
Deposit date:2016-01-27
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
5HUL
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BU of 5hul by Molmil
Crystal Structure of NadC Deletion Mutant in Cubic Space Group
Descriptor: PHOSPHATE ION, Quinolinate phosphoribosyltransferase
Authors:Booth, W.T, Chruszcz, M.
Deposit date:2016-01-27
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.855 Å)
Cite:Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
5HUH
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BU of 5huh by Molmil
Crystal Structure of NadE from Streptococcus pyogenes
Descriptor: MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, SULFATE ION
Authors:Booth, W.T, Chruszcz, M.
Deposit date:2016-01-27
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
5HUJ
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BU of 5huj by Molmil
Crystal Structure of NadE from Streptococcus pyogenes
Descriptor: CHLORIDE ION, NH(3)-dependent NAD(+) synthetase
Authors:Booth, W.T, Chruszcz, M.
Deposit date:2016-01-27
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
5HUP
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BU of 5hup by Molmil
Crystal Structure of NadC from Streptococcus pyogenes
Descriptor: Nicotinate-nucleotide pyrophosphorylase (Carboxylating), SULFATE ION
Authors:Booth, W.T, Chruszcz, M.
Deposit date:2016-01-27
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase.
FEBS J., 284, 2017
6V1M
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BU of 6v1m by Molmil
Structure of NDM-1 bound to QPX7728 at 1.05 A
Descriptor: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1J
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BU of 6v1j by Molmil
Structure of KPC-2 bound to QPX7728 at 1.30 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1P
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BU of 6v1p by Molmil
Structure of VIM-2 bound to QPX7728 at 1.20 A
Descriptor: (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
6V1O
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BU of 6v1o by Molmil
Structure of OXA-48 bound to QPX7728 at 1.80 A
Descriptor: (1aR,7bS)-5-fluoro-2-hydroxy-1,1a,2,7b-tetrahydrocyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Pemberton, O.A, Chen, Y.
Deposit date:2019-11-20
Release date:2020-03-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020

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数据于2024-08-28公开中

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