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4JPT
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BU of 4jpt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-19
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JQJ
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BU of 4jqj by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMV
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BU of 4jmv by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JN0
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BU of 4jn0 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
分子名称: 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMT
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BU of 4jmt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol
分子名称: 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JPU
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BU of 4jpu by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Benzamidine
分子名称: BENZAMIDINE, Cytochrome c peroxidase, PHOSPHATE ION, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-19
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JQM
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BU of 4jqm by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinazoline
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
2G2X
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BU of 2g2x by Molmil
X-Ray Crystal Structure Protein Q88CH6 from Pseudomonas putida. Northeast Structural Genomics Consortium Target PpR72.
分子名称: SULFATE ION, hypothetical protein PP5205
著者Kuzin, A.P, Chen, Y, Abashidze, M, Acton, T, Conover, K, Janjua, H, Ma, L.-C, Ho, C.K, Cunningham, K, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-02-16
公開日2006-03-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
1A9C
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BU of 1a9c by Molmil
GTP CYCLOHYDROLASE I (C110S MUTANT) IN COMPLEX WITH GTP
分子名称: GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE
著者Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R.
登録日1998-04-04
公開日1999-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献GTP Cyclohydrolase I in Complex with GTP at 2.1 A Resolution
To be Published
1A8R
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BU of 1a8r by Molmil
GTP CYCLOHYDROLASE I (H112S MUTANT) IN COMPLEX WITH GTP
分子名称: GTP CYCLOHYDROLASE I, GUANOSINE-5'-TRIPHOSPHATE
著者Auerbach, G, Nar, H, Bracher, A, Bacher, A, Huber, R.
登録日1998-03-27
公開日1999-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biosynthesis of pteridines. Reaction mechanism of GTP cyclohydrolase I.
J.Mol.Biol., 326, 2003
5EIY
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BU of 5eiy by Molmil
Bacterial cellulose synthase bound to a substrate analogue
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DIUNDECYL PHOSPHATIDYL CHOLINE, LAURYL DIMETHYLAMINE-N-OXIDE, ...
著者McNamara, J.T, Zimmer, J.
登録日2015-10-30
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
5EJZ
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BU of 5ejz by Molmil
Bacterial Cellulose Synthase Product-Bound State
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-deoxy-2-fluoro-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ...
著者Morgan, J.L.W, Zimmer, J.
登録日2015-11-02
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
5EJ1
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BU of 5ej1 by Molmil
Pre-translocation state of bacterial cellulose synthase
分子名称: (4S,7R)-7-(heptanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahexadecan-1-aminium 4-oxide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ...
著者Moragn, J.L.W, Zimmer, J.
登録日2015-10-30
公開日2016-03-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Observing cellulose biosynthesis and membrane translocation in crystallo.
Nature, 531, 2016
7ZAL
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BU of 7zal by Molmil
FNIP family proteins from Cafeteria roenbergensis virus (CroV): leucine-rich repeats with novel structural features
分子名称: Crov539
著者Huyton, T, Goerlich, D.
登録日2022-03-22
公開日2022-08-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.732 Å)
主引用文献Crystal structures of FNIP/FGxxFN motif-containing leucine-rich repeat proteins.
Sci Rep, 12, 2022
1OAA
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BU of 1oaa by Molmil
MOUSE SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP AND OXALOACETATE
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXALOACETATE ION, SEPIAPTERIN REDUCTASE, ...
著者Auerbach, G, Herrmann, A, Bacher, A, Huber, R.
登録日1997-08-25
公開日1999-02-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The 1.25 A crystal structure of sepiapterin reductase reveals its binding mode to pterins and brain neurotransmitters.
EMBO J., 16, 1997
5UB5
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BU of 5ub5 by Molmil
human POGLUT1 in complex with human Notch1 EGF12 S458T mutant and UDP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neurogenic locus notch homolog protein 1, ...
著者Li, Z, Rini, J.M.
登録日2016-12-20
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural basis of Notch O-glucosylation and O-xylosylation by mammalian protein-O-glucosyltransferase 1 (POGLUT1).
Nat Commun, 8, 2017
2GBS
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BU of 2gbs by Molmil
NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3
分子名称: Hypothetical protein Rpa0253
著者Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
登録日2006-03-11
公開日2006-04-11
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
2JZ5
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BU of 2jz5 by Molmil
NMR solution structure of protein VPA0419 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR68
分子名称: Uncharacterized protein VPA0419
著者Singarapu, K.K, Sukumaran, D.K, Eletski, A, Parish, D, Zhao, L, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2007-12-28
公開日2008-02-19
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
2YCM
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BU of 2ycm by Molmil
Inhibitors of herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-BENZYL-5-CHLORO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID, ...
著者Hoeffken, H.W.
登録日2011-03-16
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2YC5
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BU of 2yc5 by Molmil
Inhibitors of the herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
著者Hoeffken, H.W.
登録日2011-03-11
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2YC3
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BU of 2yc3 by Molmil
Inhibitors of the herbicidal target IspD
分子名称: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CHLOROPLASTIC, 6-benzyl-5-chloro[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, ...
著者Hoeffken, H.W.
登録日2011-03-11
公開日2011-08-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibitors of the Herbicidal Target Ispd: Allosteric Site Binding.
Angew.Chem.Int.Ed.Engl., 50, 2011
2K3I
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BU of 2k3i by Molmil
Solution NMR structure of protein yiiS from Shigella flexneri. Northeast Structural Genomics Consortium target SfR90
分子名称: Uncharacterized protein yiiS
著者Mills, J.L, Singarapu, K.K, Eletsky, A, Sukumaran, D.K, Wang, D, Jiang, M, Ciccosanti, C, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2008-05-08
公開日2008-07-08
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR structures of proteins VPA0419 from Vibrio parahaemolyticus and yiiS from Shigella flexneri provide structural coverage for protein domain family PFAM 04175.
Proteins, 78, 2010
1ZCE
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BU of 1zce by Molmil
X-Ray Crystal Structure of Protein Atu2648 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR33.
分子名称: hypothetical protein Atu2648
著者Forouhar, F, Chen, Y, Conover, K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2005-04-11
公開日2005-04-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural genomics reveals EVE as a new ASCH/PUA-related domain.
Proteins, 75, 2009
3R3J
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BU of 3r3j by Molmil
Kinetic and structural characterization of Plasmodium falciparum glutamate dehydrogenase 2
分子名称: Glutamate dehydrogenase
著者Zocher, K, Fritz-Wolf, K, Kehr, S, Rahlfs, S, Becker, K.
登録日2011-03-16
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Biochemical and structural characterization of Plasmodium falciparum glutamate dehydrogenase 2.
Mol.Biochem.Parasitol., 183, 2012
6YRP
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BU of 6yrp by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-04-20
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020

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