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6EM9
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BU of 6em9 by Molmil
S.aureus ClpC resting state, asymmetric map
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC
Authors:Carroni, M, Mogk, A, Bukau, B, Franke, K.
Deposit date:2017-10-01
Release date:2017-12-27
Last modified:2018-11-28
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017
6EMW
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BU of 6emw by Molmil
Structure of S.aureus ClpC in complex with MecA
Descriptor: ATP-dependent Clp protease ATP-binding subunit, ATP-dependent Clp protease ATP-binding subunit ClpC, Adapter protein MecA, ...
Authors:Carroni, M, Mogk, A, Bukau, B, Franke, K.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2019-09-25
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Regulatory coiled-coil domains promote head-to-head assemblies of AAA+ chaperones essential for tunable activity control.
Elife, 6, 2017
3FC6
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BU of 3fc6 by Molmil
hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875
Descriptor: Nr1h3 protein, RETINOIC ACID, Retinoic acid receptor RXR-alpha, ...
Authors:Washburn, D.G, Hoang, T.H, Campobasso, N, Smallwood, A, Parks, D.J, Webb, C.L, Frank, K, Nord, M, Duraiswami, C, Evans, C, Jaye, M, Thompson, S.K.
Deposit date:2008-11-21
Release date:2009-02-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.063 Å)
Cite:Synthesis and SAR of potent LXR agonists containing an indole pharmacophore.
Bioorg.Med.Chem.Lett., 19, 2009
6QS8
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BU of 6qs8 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS4
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BU of 6qs4 by Molmil
Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS7
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BU of 6qs7 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2019-08-21
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS6
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BU of 6qs6 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6RN2
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BU of 6rn2 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-07
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6RN4
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BU of 6rn4 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-08
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6RN3
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BU of 6rn3 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-07
Release date:2019-07-03
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
8G9C
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BU of 8g9c by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- difluoromethylenebisphosphonate inositol pentakisphosphate (5-PCF2P-IP5), an analogue of 5-InsP7
Descriptor: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, FLUORIDE ION, ...
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
8G9D
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BU of 8g9d by Molmil
Diphosphoinositol polyphosphate phosphohydrolase 1 (DIPP1/NUDT3) in complex with 5- phosphonodifluoroacetamide inositol pentakisphosphate (5-PCF2Am-InsP5), an analogue of 5-InsP7
Descriptor: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase 1
Authors:Zong, G, Wang, H, Shears, S.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
8G9E
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BU of 8g9e by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMP-PNP and 5-(PCF2P)-IP5, an analog of 5-IP7
Descriptor: Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2023-02-21
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorination Influences the Bioisostery of Myo-Inositol Pyrophosphate Analogs.
Chemistry, 29, 2023
4HVI
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BU of 4hvi by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-1-methyl-2-oxo-2-piperidin-1-yl-ethyl)-amide
Descriptor: 2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVH
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BU of 4hvh by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Descriptor: 2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVG
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BU of 4hvg by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-2-hydroxy-1,2-dimethyl-propyl)-amide
Descriptor: 2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013
4HVD
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BU of 4hvd by Molmil
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
Descriptor: 1-phenylurea, 2-cyclopropyl-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase JAK3
Authors:Kuglstatter, A, Shao, A.
Deposit date:2012-11-06
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:3-Amido Pyrrolopyrazine JAK Kinase Inhibitors: Development of a JAK3 vs JAK1 Selective Inhibitor and Evaluation in Cellular and in Vivo Models.
J.Med.Chem., 56, 2013

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