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6CMR
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BU of 6cmr by Molmil
Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
登録日2018-03-06
公開日2018-11-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
7K4P
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BU of 7k4p by Molmil
Crystal structure of Kemp Eliminase HG3
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4S
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BU of 7k4s by Molmil
Crystal structure of Kemp Eliminase HG3.7
分子名称: Endo-1,4-beta-xylanase, SULFATE ION
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4X
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BU of 7k4x by Molmil
Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ...
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Z
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BU of 7k4z by Molmil
Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4Q
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BU of 7k4q by Molmil
Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4V
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BU of 7k4v by Molmil
Crystal structure of Kemp Eliminase HG3.17
分子名称: Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4U
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BU of 7k4u by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q in complex with the transition state analog 6-nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4R
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BU of 7k4r by Molmil
Crystal structure of Kemp Eliminase HG3 K50Q
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4T
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BU of 7k4t by Molmil
Crystal structure of Kemp Eliminase HG3.17
分子名称: Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.999 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
2MSL
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BU of 2msl by Molmil
Solution Structure and Chemical Shift Assignments for the Apo form of the Receiver Domain of Nitrogen Regulatory Protein C (NTRC) at 35C
分子名称: Nitrogen regulation protein NR(I)
著者Clarkson, M.W, Pontiggia, F, Villali, J, Kern, D.
登録日2014-08-04
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Free energy landscape of activation in a signalling protein at atomic resolution.
Nat Commun, 6, 2015
2MSK
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BU of 2msk by Molmil
Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C (NtrC) at 35C
分子名称: Nitrogen regulation protein NR(I)
著者Clarkson, M.W, Pontiggia, F, Villali, J, Kern, D.
登録日2014-08-04
公開日2015-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Free energy landscape of activation in a signalling protein at atomic resolution.
Nat Commun, 6, 2015
8DB3
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BU of 8db3 by Molmil
Crystal structure of KaiC with truncated C-terminal coiled-coil domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC
著者Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
登録日2022-06-14
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献From primordial clocks to circadian oscillators.
Nature, 616, 2023
8DBA
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BU of 8dba by Molmil
Crystal structure of dodecameric KaiC
分子名称: ADENOSINE-5'-DIPHOSPHATE, Circadian clock protein KaiC, MAGNESIUM ION
著者Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
登録日2022-06-14
公開日2023-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献From primordial clocks to circadian oscillators.
Nature, 616, 2023
8FWI
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BU of 8fwi by Molmil
Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ...
著者Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
登録日2023-01-22
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献From primordial clocks to circadian oscillators.
Nature, 616, 2023
8FWJ
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BU of 8fwj by Molmil
Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ...
著者Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
登録日2023-01-22
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献From primordial clocks to circadian oscillators.
Nature, 616, 2023
4JZK
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BU of 4jzk by Molmil
Crystal Structure of Adenylate kinase of E. Coli with ADP/AMP bound
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Agafonov, R, Kern, D.
登録日2013-04-03
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of E. Coli Adenylate kinase with ADP and AMP bound
To be Published
4IKE
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BU of 4ike by Molmil
Crystal Structure of a partly open ATP-lid of liganded Adenylate kinase
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2012-12-26
公開日2014-07-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The ATP-Lid Opened Adenylate Kinase with Fully Occupied Substrates
To be Published
6BTA
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BU of 6bta by Molmil
CypA Mutant - S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S, Kenner, L.R, Liu, L.
登録日2017-12-06
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
1NZJ
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BU of 1nzj by Molmil
Crystal Structure and Activity Studies of Escherichia Coli Yadb ORF
分子名称: Hypothetical protein yadB, ZINC ION
著者Campanacci, V, Kern, D.Y, Becker, H.D, Spinelli, S, Valencia, C, Vincentelli, R, Pagot, F, Bignon, C, Giege, R, Cambillau, C.
登録日2003-02-18
公開日2004-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Escherichia coli YadB gene product reveals a novel aminoacyl-tRNA synthetase like activity.
J.Mol.Biol., 337, 2004
5WC7
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BU of 5wc7 by Molmil
CypA Mutant - I97V S99T C115S
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Fraser, J.S.
登録日2017-06-29
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Rescue of conformational dynamics in enzyme catalysis by directed evolution.
Nat Commun, 9, 2018
4M2O
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BU of 4m2o by Molmil
Crystal structure of a non-myristoylated C39A recoverin mutant with one calcium ion bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-08-05
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Highly Conserved Cysteine of Neuronal Calcium-sensing Proteins Controls Cooperative Binding of Ca2+ to Recoverin.
J.Biol.Chem., 288, 2013
4MLW
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BU of 4mlw by Molmil
Crystal structure of non-myristoylated recoverin at 1.45 A resolution with calcium bound to EF-hand 3
分子名称: CALCIUM ION, Recoverin
著者Prem Kumar, R, Ranaghan, M.J, Oprian, D.D.
登録日2013-09-06
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A highly conserved cysteine of neuronal calcium-sensing proteins controls cooperative binding of Ca2+ to recoverin.
J.Biol.Chem., 288, 2013

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