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1IK4
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BU of 1ik4 by Molmil
X-ray Structure of Methylglyoxal Synthase from E. coli Complexed with Phosphoglycolohydroxamic Acid
分子名称: METHYLGLYOXAL SYNTHASE, PHOSPHOGLYCOLOHYDROXAMIC ACID
著者Marks, G.T, Harris, T.K, Massiah, M.A, Mildvan, A.S, Harrison, D.H.T.
登録日2001-05-02
公開日2001-09-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanistic implications of methylglyoxal synthase complexed with phosphoglycolohydroxamic acid as observed by X-ray crystallography and NMR spectroscopy.
Biochemistry, 40, 2001
6ZUJ
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BU of 6zuj by Molmil
Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen).
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
著者Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
登録日2020-07-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
6ZSP
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BU of 6zsp by Molmil
Human serine racemase bound to ATP and malonate.
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R.
登録日2020-07-16
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
7NBG
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BU of 7nbg by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
7NBH
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BU of 7nbh by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
7NBD
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BU of 7nbd by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.865 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
7NBC
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BU of 7nbc by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
7NBF
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BU of 7nbf by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
6SM0
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BU of 6sm0 by Molmil
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
分子名称: Green fluorescent protein, OXYGEN MOLECULE, SULFATE ION, ...
著者Rizkallah, P.J, Al Maslookhi, H.S, Jones, D.D.
登録日2019-08-21
公開日2021-02-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Stalling chromophore synthesis of the fluorescent protein Venus reveals the molecular basis of the final oxidation step.
Chem Sci, 12, 2021
4E4L
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BU of 4e4l by Molmil
JAK1 kinase (JH1 domain) in complex with compound 30
分子名称: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Eigenbrot, C.
登録日2012-03-13
公開日2012-05-30
最終更新日2012-07-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4E4M
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BU of 4e4m by Molmil
JAK2 kinase (JH1 domain) in complex with compound 30
分子名称: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Eigenbrot, C.
登録日2012-03-13
公開日2012-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4E5W
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BU of 4e5w by Molmil
JAK1 kinase (JH1 domain) in complex with compound 26
分子名称: DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1, [4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
著者Murray, J.M.
登録日2012-03-14
公開日2012-05-30
最終更新日2012-07-11
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4E6D
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BU of 4e6d by Molmil
JAK2 kinase (JH1 domain) triple mutant in complex with compound 7
分子名称: 3-[(3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl]-3-oxopropanenitrile, GLYCEROL, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-03-15
公開日2012-05-30
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4E4N
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BU of 4e4n by Molmil
JAK1 kinase (JH1 domain) in complex with compound 49
分子名称: Tyrosine-protein kinase JAK1, tert-butyl [(1R,3R)-3-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclopentyl]carbamate
著者Eigenbrot, C.
登録日2012-03-13
公開日2012-05-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
4E6Q
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BU of 4e6q by Molmil
JAK2 kinase (JH1 domain) triple mutant in complex with compound 12
分子名称: 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-03-15
公開日2012-05-30
最終更新日2012-07-11
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012

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件を2024-10-09に公開中

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