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PDB: 34 results

3K5B
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Crystal structure of the peripheral stalk of Thermus thermophilus H+-ATPase/synthase
Descriptor: V-type ATP synthase subunit E, V-type ATP synthase, subunit (VAPC-THERM)
Authors:Lee, L.K, Stewart, A.G, Donohoe, M, Bernal, R.A, Stock, D.
Deposit date:2009-10-07
Release date:2010-02-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structure of the peripheral stalk of Thermus thermophilus H(+)-ATPase/synthase.
Nat.Struct.Mol.Biol., 17, 2010
3U8I
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Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
3U8H
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Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-17
Release date:2012-10-17
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
3U8D
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Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-16
Release date:2012-10-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
3HJL
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BU of 3hjl by Molmil
The structure of full-length FliG from Aquifex aeolicus
Descriptor: Flagellar motor switch protein fliG
Authors:Lee, L.K, Ginsburg, M.A, Crovace, C, Donohoe, M, Stock, D.
Deposit date:2009-05-22
Release date:2010-08-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching
Nature, 466, 2010
3U8B
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BU of 3u8b by Molmil
Functionally selective inhibition of Group IIA phospholipase A2 reveals a role for vimentin in regulating arachidonic acid metabolism
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Lee, L.K, Bryant, K.J, Bouveret, R, Lei, P.-W, Duff, A.P, Harrop, S.J, Huang, E.P, Harvey, R.P, Gelb, M.H, Gray, P.P, Curmi, P.M, Cunningham, A.M, Church, W.B, Scott, K.F.
Deposit date:2011-10-16
Release date:2012-10-17
Last modified:2013-06-12
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Selective Inhibition of Human Group IIA-secreted Phospholipase A2 (hGIIA) Signaling Reveals Arachidonic Acid Metabolism Is Associated with Colocalization of hGIIA to Vimentin in Rheumatoid Synoviocytes.
J.Biol.Chem., 288, 2013
7EHM
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Human MTHFD2 in complex with compound 21 and 15
Descriptor: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, (2S)-2-[[4-[[1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
Authors:Lee, L.C, Peng, Y.H, Wu, S.Y.
Deposit date:2021-03-30
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
7EHJ
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human MTHFD2 in complex with compound 21, cofactor and phosphate.
Descriptor: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
Authors:Lee, L.C, Peng, Y.H, Wu, S.Y.
Deposit date:2021-03-29
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
7EHN
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Human MTHFD2 in complex with compound 21 and 9
Descriptor: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 3-[4-[[1-[(4-chloranyl-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]-6-methyl-pyrimidin-2-yl]propanoic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
Authors:Lee, L.C, Peng, Y.H, Wu, S.Y.
Deposit date:2021-03-30
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
7EHV
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BU of 7ehv by Molmil
Human MTHFD2 in complex with compound 21 and 3
Descriptor: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
Authors:Lee, L.C, Peng, Y.H, Wu, S.Y.
Deposit date:2021-03-30
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
8CNF
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BU of 8cnf by Molmil
Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
8CNP
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Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-02-24
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
8OZ2
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BU of 8oz2 by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
8P2R
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BU of 8p2r by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
3PSA
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BU of 3psa by Molmil
Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to tungstate)
Descriptor: TUNGSTATE(VI)ION, protein HI_1472
Authors:Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W.
Deposit date:2010-12-01
Release date:2011-11-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.
Structure, 19, 2011
3PSH
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Classification of a Haemophilus influenzae ABC transporter HI1470/71 through its cognate molybdate periplasmic binding protein MolA (MolA bound to Molybdate)
Descriptor: MOLYBDATE ION, protein HI_1472
Authors:Tirado-Lee, L, Lee, A, Rees, D.C, Pinkett, H.W.
Deposit date:2010-12-01
Release date:2011-11-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Classification of a Haemophilus influenzae ABC Transporter HI1470/71 through Its Cognate Molybdate Periplasmic Binding Protein, MolA.
Structure, 19, 2011
5BVN
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BU of 5bvn by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVW
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BU of 5bvw by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVK
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BU of 5bvk by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5BVO
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BU of 5bvo by Molmil
Fragment-based discovery of potent and selective DDR1/2 inhibitors
Descriptor: Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
Authors:Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G.
Deposit date:2015-06-05
Release date:2015-08-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
2WRY
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BU of 2wry by Molmil
Crystal structure of chicken cytokine interleukin 1 beta
Descriptor: INTERLEUKIN-1BETA
Authors:Lu, W.S, Cheng, C.S, Lyu, P.C, Lee, L.H, Wang, W.C, Yin, H.S.
Deposit date:2009-09-03
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural and Functional Comparison of Cytokine Interleukin-1 Beta from Chicken and Human.
Mol.Immunol., 48, 2011
6BM6
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BU of 6bm6 by Molmil
Crystal Structure of the MetH Reactivation Domain bound to AdoHcy
Descriptor: Methionine synthase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Fick, R.J, Vander Lee, L.P, Trievel, R.C.
Deposit date:2017-11-13
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018
4APW
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BU of 4apw by Molmil
Alp12 filament structure
Descriptor: ALP12
Authors:Popp, D, Narita, A, Lee, L.J, Ghoshdastider, U, Xue, B, Srinivasan, R, Balasubramanian, M.K, Tanaka, T, Robinson, R.C.
Deposit date:2012-04-06
Release date:2012-05-16
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (19.700001 Å)
Cite:Novel Actin-Like Filament Structure from Clostridium Tetani.
J.Biol.Chem., 287, 2012
6BDY
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BU of 6bdy by Molmil
Crystal Structure of the MetH Reactivation Domain bound to Sinefungin
Descriptor: Methionine synthase, SINEFUNGIN
Authors:Fick, R.J, Vander Lee, L.P, Trievel, R.C.
Deposit date:2017-10-24
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.512 Å)
Cite:Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018
6BM5
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BU of 6bm5 by Molmil
Crystal Structure of the MetH Reactivation Domain bound to AdoMet
Descriptor: Methionine synthase, S-ADENOSYLMETHIONINE
Authors:Fick, R.J, Vander Lee, L.P, Trievel, R.C.
Deposit date:2017-11-13
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water-Mediated Carbon-Oxygen Hydrogen Bonding Facilitates S-Adenosylmethionine Recognition in the Reactivation Domain of Cobalamin-Dependent Methionine Synthase.
Biochemistry, 57, 2018

 

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