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4UEU
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BU of 4ueu by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL
著者Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D.
登録日2014-12-18
公開日2015-02-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
4CSV
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BU of 4csv by Molmil
Tyrosine kinase AS - a common ancestor of Src and Abl bound to Gleevec
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, SRC-ABL TYROSINE KINASE ANCESTOR
著者Kutter, S, Wilson, C, Cruz, L, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Kern, D.
登録日2014-03-10
公開日2015-03-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
4CF7
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BU of 4cf7 by Molmil
Crystal structure of adenylate kinase from Aquifex aeolicus with MgADP bound
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINASE, ...
著者Kerns, S.J, Agafonov, R.V, Cho, Y.-J, Pontiggia, F, Otten, R, Pachov, D.V, Kutter, S, Phung, L.A, Murphy, P.N, Thai, V, Hagan, M.F, Kern, D.
登録日2013-11-13
公開日2014-12-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.594 Å)
主引用文献The Energy Landscape of Adenylate Kinase During Catalysis.
Nat.Struct.Mol.Biol., 22, 2015
7N03
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BU of 7n03 by Molmil
Crystal structure of MTH1 in complex with compound 31
分子名称: 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-24
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
7N13
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BU of 7n13 by Molmil
Crystal structure of MTH1 in complex with compound 32
分子名称: 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION
著者Eron, S.J.
登録日2021-05-26
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of an AchillesTAG degradation system and its application to control CAR-T activity
Curr Res Chem Biol, 1, 2021
3SR0
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BU of 3sr0 by Molmil
Crystal Structure of the Phosphoryl Transfer Transition State Mimic in the Adenylate Kinase: ADP/AlF4/AMP in the active site
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, ...
著者Cho, Y.-J, Kern, D.
登録日2011-07-06
公開日2012-10-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.565 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
6WVX
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BU of 6wvx by Molmil
Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor
分子名称: 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine], Bromodomain-containing protein 4
著者Eron, S.J.
登録日2020-05-07
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.
Acs Chem.Biol., 16, 2021
6CPE
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BU of 6cpe by Molmil
Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation
分子名称: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Aurora kinase A
著者Otten, R, Kutter, S, Buosi, V, Padua, R.A.P, Kern, D.
登録日2018-03-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
6CPG
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BU of 6cpg by Molmil
Structure of dephosphorylated Aurora A (122-403) in complex with inhibiting monobody and AT9283 in an inactive conformation
分子名称: 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Aurora kinase A, Monobody
著者Otten, R, Kutter, S, Zorba, A, Padua, R.A.P, Koide, A, Koide, S, Kern, D.
登録日2018-03-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
6CPF
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BU of 6cpf by Molmil
Structure of dephosphorylated Aurora A (122-403) bound to AMPPCP in an active conformation
分子名称: Aurora kinase A, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Otten, R, Zorba, A, Padua, R.A.P, Kern, D.
登録日2018-03-13
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dynamics of human protein kinase Aurora A linked to drug selectivity.
Elife, 7, 2018
5G3Y
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BU of 5g3y by Molmil
Crystal structure of adenylate kinase ancestor 1 with Zn and ADP bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ZINC ION
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G41
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BU of 5g41 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn, Mg and Ap5A bound
分子名称: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G40
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BU of 5g40 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
分子名称: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ...
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G3Z
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BU of 5g3z by Molmil
Crystal structure of adenylate kinase ancestor 3 with Zn, Mg and Ap5A bound
分子名称: ADENYLATE KINSE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ...
著者Nguyen, V, Kutter, S, English, J, Kern, D.
登録日2016-05-03
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
4JLA
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BU of 4jla by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's in the active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JKY
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BU of 4jky by Molmil
Cobalt between two ADP's in the active site of adenylate kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, COBALT (II) ION
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLB
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BU of 4jlb by Molmil
Crystal Structures of Adenylate kinase with 2ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JL5
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BU of 4jl5 by Molmil
A high resolution structure of Aquifex Adenylate kinase with 2 ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JL8
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BU of 4jl8 by Molmil
A various kinds of ADP conformations in the Adenylate kinase active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLD
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BU of 4jld by Molmil
Crystal Structures of adenylate kinase with 2 ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLP
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BU of 4jlp by Molmil
Crystal structure of R150K aquifex adenylate kinase mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Phung, L, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLO
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BU of 4jlo by Molmil
Crystal structure of Aquifex adenylate kinase R150K mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Phung, L, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JL6
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BU of 4jl6 by Molmil
Crystal Structure of Adenylate kinase with 2 ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015

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