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1YGJ
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BU of 1ygj by Molmil
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
分子名称: (2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL, Pyridoxal kinase
著者Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
登録日2005-01-05
公開日2005-07-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YGK
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Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
分子名称: Pyridoxal kinase, R-ROSCOVITINE
著者Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
登録日2005-01-05
公開日2005-07-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives
J.Biol.Chem., 280, 2005
1YHJ
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BU of 1yhj by Molmil
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
分子名称: (2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-9H-PURIN-2-YL]AMINO}BUTAN-1-OL, Pyridoxal Kinase
著者Tang, L, Li, M.-H, Cao, P, Wang, F, Chang, W.-R, Bach, S, Reinhardt, J, Ferandin, Y, Koken, M, Galons, H, Wan, Y, Gray, N, Meijer, L, Jiang, T, Liang, D.-C.
登録日2005-01-09
公開日2005-07-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
J.Biol.Chem., 280, 2005
1N06
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BU of 1n06 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N08
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BU of 1n08 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, ZINC ION, putative riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1N07
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BU of 1n07 by Molmil
Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: ADENOSINE-5'-DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, PUTATIVE riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003
1EG5
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NIFS-LIKE PROTEIN
分子名称: AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Kaiser, J.T, Clausen, T, Bourenkow, G.P, Bartunik, H.-D, Steinbacher, S, Huber, R.
登録日2000-02-13
公開日2000-04-02
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a NifS-like protein from Thermotoga maritima: implications for iron sulphur cluster assembly.
J.Mol.Biol., 297, 2000
5AH1
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Structure of EstA from Clostridium botulinum
分子名称: POTASSIUM ION, TRIACYLGLYCEROL LIPASE, ZINC ION
著者Pairitsch, A, Lyskowski, A, Hromic, A, Steinkellner, G, Gruber, K, Perz, V, Baumschlager, A, Bleymaier, K, Zitzenbacher, S, Sinkel, C, Kueper, U, Ribitsch, D, Guebitz, G.M.
登録日2015-02-04
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Biotechnol.Bioeng., 113, 2016
7S25
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BU of 7s25 by Molmil
ROCK1 IN COMPLEX WITH LIGAND G4998
分子名称: 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1
著者Ganichkin, O, Harris, S.F, Steinbacher, S.
登録日2021-09-03
公開日2022-10-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.337 Å)
主引用文献Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
7S26
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BU of 7s26 by Molmil
ROCK1 IN COMPLEX WITH LIGAND G5018
分子名称: 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1
著者Ganichkin, O, Harris, S.F, Steinbacher, S.
登録日2021-09-03
公開日2022-10-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.744 Å)
主引用文献Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Nat Commun, 13, 2022
5CWU
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BU of 5cwu by Molmil
Crystal structure of Chaetomium thermophilum Nup188 TAIL domain
分子名称: GLYCEROL, Nucleoporin NUP188
著者Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A.
登録日2015-07-28
公開日2015-09-16
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
5CWV
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BU of 5cwv by Molmil
Crystal structure of Chaetomium thermophilum Nup192 TAIL domain
分子名称: Nucleoporin NUP192
著者Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A.
登録日2015-07-28
公開日2015-09-16
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.155 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
5CWW
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BU of 5cww by Molmil
Crystal structure of the Chaetomium thermophilum heterotrimeric Nup82 NTD-Nup159 TAIL-Nup145N APD complex
分子名称: Nucleoporin NUP145N, Nucleoporin NUP159, Nucleoporin NUP82
著者Stuwe, T, Bley, C.J, Thierbach, K, Petrovic, S, Schilbach, S, Mayo, D.J, Perriches, T, Rundlet, E.J, Jeon, Y.E, Collins, L.N, Lin, D.H, Paduch, M, Koide, A, Lu, V, Fischer, J, Hurt, E, Koide, S, Kossiakoff, A.A, Hoelz, A.
登録日2015-07-28
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
1KZ6
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BU of 1kz6 by Molmil
Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYY
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BU of 1kyy by Molmil
Lumazine Synthase from S.pombe bound to nitropyrimidinedione
分子名称: 5-NITRO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ1
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BU of 1kz1 by Molmil
Mutant enzyme W27G Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ9
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BU of 1kz9 by Molmil
Mutant Enzyme L119F Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYX
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Lumazine Synthase from S.pombe bound to carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZ4
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BU of 1kz4 by Molmil
Mutant enzyme W63Y Lumazine Synthase from S.pombe
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KYV
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Lumazine Synthase from S.pombe bound to riboflavin
分子名称: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION, RIBOFLAVIN
著者Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
登録日2002-02-06
公開日2002-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
1KZL
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Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase
著者Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M.
登録日2002-02-07
公開日2002-11-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
3JDW
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BU of 3jdw by Molmil
CRYSTAL STRUCTURE AND MECHANISM OF L-ARGININE: GLYCINE AMIDINOTRANSFERASE: A MITOCHONDRIAL ENZYME INVOLVED IN CREATINE BIOSYNTHESIS
分子名称: L-ARGININE:GLYCINE AMIDINOTRANSFERASE, L-ornithine
著者Humm, A, Fritsche, E, Steinbacher, S, Huber, R.
登録日1997-01-24
公開日1998-01-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure and mechanism of human L-arginine:glycine amidinotransferase: a mitochondrial enzyme involved in creatine biosynthesis.
EMBO J., 16, 1997
5DXH
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BU of 5dxh by Molmil
p110alpha/p85alpha with compound 5
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
著者Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A.
登録日2015-09-23
公開日2016-01-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
1G5Q
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EPID H67N COMPLEXED WITH SUBSTRATE PEPTIDE DSYTC
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EPIDERMIN MODIFYING ENZYME EPID, FLAVIN MONONUCLEOTIDE, ...
著者Blaesse, M, Kupke, T, Huber, R, Steinbacher, S.
登録日2000-11-02
公開日2001-05-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal structure of the peptidyl-cysteine decarboxylase EpiD complexed with a pentapeptide substrate.
EMBO J., 19, 2000
1N05
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Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
分子名称: putative Riboflavin kinase
著者Bauer, S, Kemter, K, Bacher, A, Huber, R, Fischer, M, Steinbacher, S.
登録日2002-10-11
公開日2003-02-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold
J.Mol.Biol., 326, 2003

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