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6X5K
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BU of 6x5k by Molmil
Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CARBON MONOXIDE, Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha, ...
Authors:Cohen, S.E, Wittenborn, E.C, Hendrickson, R, Drennan, C.L.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystallographic Characterization of the Carbonylated A-Cluster in Carbon Monoxide Dehydrogenase/Acetyl-CoA Synthase
Acs Catalysis, 10, 2020
6V59
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BU of 6v59 by Molmil
Crystal structure of the diheme peroxidase BthA Y463M variant from Burkholderia thailandensis E264
Descriptor: CHLORIDE ION, Di-haem cytochrome c peroxidase family protein, GLYCEROL, ...
Authors:Cohen, S.E, Drennan, C.L.
Deposit date:2019-12-03
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.593 Å)
Cite:A Stable Ferryl Porphyrin at the Active Site of Y463M BthA.
J.Am.Chem.Soc., 142, 2020
6NX0
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BU of 6nx0 by Molmil
Crystal structure of the diheme peroxidase BthA from Burkholderia thailandensis E264
Descriptor: CHLORIDE ION, Di-haem cytochrome c peroxidase family protein, GLYCEROL, ...
Authors:Cohen, S.E, Drennan, C.L.
Deposit date:2019-02-07
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A widely distributed diheme enzyme from Burkholderia that displays an atypically stable bis-Fe(IV) state.
Nat Commun, 10, 2019
6ONS
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BU of 6ons by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated
Descriptor: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER
Authors:Cohen, S.E, Wittenborn, E.C, Drennan, C.L.
Deposit date:2019-04-22
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
9AXC
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BU of 9axc by Molmil
Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide
Authors:Quade, B, Cohen, S.E, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXA
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BU of 9axa by Molmil
CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628
Descriptor: 14-3-3 protein sigma, Dual specificity mitogen-activated protein kinase kinase 1, GST26/CRAF chimera, ...
Authors:Quade, B, Cohen, S.E, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (4.36 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
5HI0
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BU of 5hi0 by Molmil
The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase
Descriptor: COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ...
Authors:Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J.
Deposit date:2016-01-11
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase.
Biochemistry, 55, 2016
6OND
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BU of 6ond by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, reduced
Descriptor: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
Authors:Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
Deposit date:2019-04-21
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.723 Å)
Cite:Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
6ONC
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BU of 6onc by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase produced without CooC, as-isolated
Descriptor: CHLORIDE ION, Carbon monoxide dehydrogenase, FE (III) ION, ...
Authors:Wittenborn, E.C, Cohen, S.E, Drennan, C.L.
Deposit date:2019-04-21
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insight into metallocofactor maturation in carbon monoxide dehydrogenase.
J.Biol.Chem., 294, 2019
9AXX
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BU of 9axx by Molmil
Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXY
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BU of 9axy by Molmil
Crystal structure of BRAF/MEK complex with NST-628 and inactive RAF
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AYA
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BU of 9aya by Molmil
Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-07
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AY7
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BU of 9ay7 by Molmil
Crystal structure of CRAF/MEK1 complex with NST-628 and inactive RAF
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-07
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXH
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BU of 9axh by Molmil
Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
9AXM
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BU of 9axm by Molmil
Crystal structure of ARAF/MEK1 complex with NST-628 and a RAF dimer
Descriptor: 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ...
Authors:Quade, B, Huang, X.
Deposit date:2024-03-06
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.
Cancer Discov, 2024
5JWR
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BU of 5jwr by Molmil
Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC and a dimer of KaiA C-terminal domains from Thermosynechococcus elongatus
Descriptor: Circadian clock protein KaiA, Circadian clock protein KaiB, Circadian clock protein kinase KaiC, ...
Authors:Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y.G, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
Deposit date:2016-05-12
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5JWQ
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BU of 5jwq by Molmil
Crystal structure of KaiC S431E in complex with foldswitch-stabilized KaiB from Thermosynechococcus elongatus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
Authors:Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
Deposit date:2016-05-12
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.871 Å)
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5JYV
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BU of 5jyv by Molmil
NMR structure of foldswitch-stablized KaiB in complex with pseudo receiver domain of CikA from Thermosynechococcus elongatus
Descriptor: Circadian clock protein KaiB, Two-component sensor histidine kinase
Authors:Tseng, R.D, LiWang, A.L.
Deposit date:2016-05-15
Release date:2017-03-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5JWO
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BU of 5jwo by Molmil
Crystal structure of foldswitch-stabilized KaiB in complex with the N-terminal CI domain of KaiC from Thermosynechococcus elongatus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiB, Circadian clock protein kinase KaiC
Authors:Tseng, R, Goularte, N.F, Chavan, A, Luu, J, Chang, Y, Heilser, J, Tripathi, S, LiWang, A, Partch, C.L.
Deposit date:2016-05-12
Release date:2017-03-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5JYT
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BU of 5jyt by Molmil
NMR structure of foldswitch-stablized KaiB from Thermosynechococcus elongatus
Descriptor: Circadian clock protein KaiB
Authors:Tseng, R.D, LiWang, A.L.
Deposit date:2016-05-15
Release date:2017-03-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
5JYU
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BU of 5jyu by Molmil
NMR structure of pseudo receiver domain of CikA from Thermosynechococcus elongatus
Descriptor: Two-component sensor histidine kinase
Authors:Tseng, R.D, LiWang, A.L.
Deposit date:2016-05-15
Release date:2017-03-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017

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