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6QII
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BU of 6qii by Molmil
Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
分子名称: (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-19
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGT
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BU of 6qgt by Molmil
The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-12
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGR
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BU of 6qgr by Molmil
The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-12
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
2PID
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BU of 2pid by Molmil
Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with an adenylate analog
分子名称: 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Tyrosyl-tRNA synthetase
著者Bonnefond, L, Frugier, M, Touze, E, Lorber, B, Florentz, C, Giege, R, Sauter, C, Rudinger-Thirion, J.
登録日2007-04-13
公開日2007-10-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Human Mitochondrial Tyrosyl-tRNA Synthetase Reveals Common and Idiosyncratic Features.
Structure, 15, 2007
4AH6
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BU of 4ah6 by Molmil
Human mitochondrial aspartyl-tRNA synthetase
分子名称: ASPARTATE--TRNA LIGASE, MITOCHONDRIAL
著者Neuenfeldt, A, Sissler, M, Lorber, B, Florentz, C, Sauter, C.
登録日2012-02-03
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Thermodynamic Properties Distinguish Human Mitochondrial Aspartyl-tRNA Synthetase from Bacterial Homolog with Same 3D Architecture
Nucleic Acids Res., 41, 2013
3RTP
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BU of 3rtp by Molmil
Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration
分子名称: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide
著者Bowers, S, Truong, A.P, Neitz, R.J, Hom, R.K, Sealy, J.M, Probst, G.D, Quincy, Q, Peterson, B, Chan, W, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Pan, H, Lin, M, Yao, N, Artis, D.R, Zhang, H, Chen, L, Dryer, M, Samant, B, Zmolek, W, Wong, K, Lorentzen, C, Goldbach, E, Tonn, G, Quinn, K.P, Sauer, J, Wright, S, Powell, K, Ruslim, L, Ren, Z, Bard, F, Yednock, T.A, Griswold-Prenne, I.
登録日2011-05-03
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011
8BJ7
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BU of 8bj7 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Hinact-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-03-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8BJ8
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BU of 8bj8 by Molmil
Desulfovibrio desulfuricans FeFe Hydrogenase C178A mutant in Htrans-like state
分子名称: Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ...
著者Bikbaev, K, Span, I.
登録日2022-11-03
公開日2023-04-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Binding of exogenous cyanide reveals new active-site states in [FeFe] hydrogenases.
Chem Sci, 14, 2023
8POW
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BU of 8pow by Molmil
Crystal Structure of the C19G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.61 A Resolution.
分子名称: CHLORIDE ION, FE3-S4 CLUSTER, Fe4S4, ...
著者Kalms, J, Schmidt, A, Scheerer, P.
登録日2023-07-05
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
8POU
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BU of 8pou by Molmil
Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.65 A Resolution.
分子名称: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Schmidt, A, Kalms, J, Scheerer, P.
登録日2023-07-05
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
8POV
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BU of 8pov by Molmil
Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.92 A Resolution.
分子名称: FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Schmidt, A, Kalms, J, Scheerer, P.
登録日2023-07-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
6SG2
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BU of 6sg2 by Molmil
FeFe Hydrogenase from Desulfovibrio desulfuricans in Hinact state
分子名称: HydB, IRON/SULFUR CLUSTER, Periplasmic [Fe] hydrogenase large subunit, ...
著者Galle, L.M, Span, I.
登録日2019-08-02
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Caught in the H inact : Crystal Structure and Spectroscopy Reveal a Sulfur Bound to the Active Site of an O 2 -stable State of [FeFe] Hydrogenase.
Angew.Chem.Int.Ed.Engl., 59, 2020
3ZXI
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BU of 3zxi by Molmil
Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with a tyrosyl-adenylate analog
分子名称: PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER, TYROSYL-TRNA SYNTHETASE, MITOCHONDRIAL
著者Bonnefond, L, Frugier, M, Rudinger-Thirion, J, Balg, C, Chenevert, R, Lorber, B, Giege, R, Sauter, C.
登録日2011-08-11
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst.Growth Des., 11, 2011
3OY1
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BU of 3oy1 by Molmil
Highly Selective c-Jun N-Terminal Kinase (JNK) 2 and 3 Inhibitors with In Vitro CNS-like Pharmacokinetic Properties
分子名称: 5-[2-(cyclohexylamino)pyridin-4-yl]-4-naphthalen-2-yl-2-(tetrahydro-2H-pyran-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one, Mitogen-activated protein kinase 10
著者Probst, G.D, Bowers, S, Sealy, J.M, Truong, A, Neitz, J, Hom, R.K, Galemmo Jr, R.A, Konradi, A.W, Sham, H.L, Quincy, D, Pan, H, Yao, N.
登録日2010-09-22
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration.
Bioorg.Med.Chem.Lett., 21, 2011

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