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5CID
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BU of 5cid by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to o-toluidine with iso-1 cytochrome c
分子名称: 2-methylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-12
公開日2016-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.763 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
3NTY
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BU of 3nty by Molmil
Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid
分子名称: 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2010-07-06
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Probing the inhibitor selectivity pocket of human 20 alpha-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis
Bioorg.Med.Chem.Lett., 21, 2011
5CIH
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BU of 5cih by Molmil
Complex of yeast cytochrome c peroxidase (W191Y) with iso-1 cytochrome c
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-12
公開日2016-08-03
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5CIC
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BU of 5cic by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to 3-aminobenzotrifluoride with iso-1 cytochrome c
分子名称: 3-(trifluoromethyl)aniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-11
公開日2016-08-03
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5CEV
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BU of 5cev by Molmil
ARGINASE FROM BACILLUS CALDEVELOX, L-LYSINE COMPLEX
分子名称: GUANIDINE, LYSINE, MANGANESE (II) ION, ...
著者Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N.
登録日1999-03-16
公開日1999-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Structure Fold.Des., 7, 1999
5CIG
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BU of 5cig by Molmil
Complex of yeast cytochrome c peroxidase (W191G) with iso-1 cytochrome c
分子名称: Cytochrome c iso-1, Cytochrome c peroxidase, mitochondrial, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-12
公開日2016-08-03
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5CIB
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BU of 5cib by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to 2,4-dimethylaniline with iso-1 cytochrome c
分子名称: 2,4-dimethylaniline, Cytochrome c iso-1, Cytochrome c peroxidase, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-11
公開日2016-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
5D82
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BU of 5d82 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y16(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5A4I
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BU of 5a4i by Molmil
The mechanism of Hydrogen activation by NiFE-hydrogenases
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.C, Phillips, S.E.V, Armstrong, F.A.
登録日2015-06-10
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Mechanism of hydrogen activation by [NiFe] hydrogenases.
Nat. Chem. Biol., 12, 2016
5D81
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BU of 5d81 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase, SULFATE ION
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5D83
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BU of 5d83 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y)
分子名称: Delta(5)-3-ketosteroid isomerase
著者Wu, Y, Fried, S.D, Boxer, S.G.
登録日2015-08-15
公開日2015-12-02
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting Proton Delocalization in an Enzyme's Hydrogen Bond Network with Unnatural Amino Acids.
Biochemistry, 54, 2015
5ANW
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BU of 5anw by Molmil
MTH1 in complex with compound 24
分子名称: 2-[4-(2-AMINOQUINAZOLIN-4-YL)PHENYL]-N,N-DIMETHYL-ACETAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5DAA
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BU of 5daa by Molmil
E177K MUTANT OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAMINE-5'-PHOSPHATE
分子名称: D-AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
著者Peisach, D, Ringe, D.
登録日1998-12-13
公開日1998-12-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Effects of the E177K mutation in D-amino acid transaminase. Studies on an essential coenzyme anchoring group that contributes to stereochemical fidelity.
Biochemistry, 38, 1999
5BU4
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BU of 5bu4 by Molmil
RIBONUCLEASE T1 COMPLEX WITH 2'GMP
分子名称: CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, PROTEIN (RIBONUCLEASE T1)
著者Loris, R, Devos, S, Langhorst, U, Decanniere, K, Bouckaert, J, Maes, D, Transue, T.R, Steyaert, J.
登録日1998-09-15
公開日1998-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conserved water molecules in a large family of microbial ribonucleases.
Proteins, 36, 1999
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
分子名称: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
著者Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANU
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BU of 5anu by Molmil
MTH1 in complex with compound 15
分子名称: 13-(METHYLAMINO)-23,24,25-TRIOXA-17,18,19,21-TETRAZATETRACYCLO-TRICOSA-1(3),2(10),4(11),12(14),13(18),16(19)-HEXAN-15-ONE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, DIMETHYL SULFOXIDE
著者Read, J.A, Breed, J.
登録日2015-09-08
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5DUJ
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BU of 5duj by Molmil
Crystal structure of ldtMt2 in complex with Faropenem adduct
分子名称: (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, BETA-MERCAPTOETHANOL, L,D-transpeptidase 2, ...
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
5DU7
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BU of 5du7 by Molmil
Crystal structure of ldtMt2 at 1.79 Angstrom resolution
分子名称: L,D-transpeptidase 2
著者Kumar, P, Lamichhane, G.
登録日2015-09-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
2EUQ
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BU of 2euq by Molmil
Cytochrome c peroxydase (CCP) in complex with 3-thienylmethylamine
分子名称: 1-THIEN-3-YLMETHANAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
2EUR
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BU of 2eur by Molmil
Cytochrome c peroxidase (CCP) in complex with 4-pyridylcarbinol
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PYRIDIN-4-YLMETHANOL, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
5E6F
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BU of 5e6f by Molmil
Canarypox virus resolvase
分子名称: CNPV261 Holliday junction resolvase protein, D(-)-TARTARIC ACID, MAGNESIUM ION
著者Li, H, Hwang, Y, Perry, K, Bushman, F.D, Van Duyne, G.D.
登録日2015-10-09
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Metal Binding Properties of a Poxvirus Resolvase.
J.Biol.Chem., 291, 2016
5E7J
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BU of 5e7j by Molmil
Crystal structure of the active catalytic core of the human DEAD-box protein DDX3 bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DDX3X
著者Floor, S.N, Condon, K.J, Doudna, J.A.
登録日2015-10-12
公開日2015-12-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Autoinhibitory Interdomain Interactions and Subfamily-specific Extensions Redefine the Catalytic Core of the Human DEAD-box Protein DDX3.
J.Biol.Chem., 291, 2016
2EUO
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BU of 2euo by Molmil
Cytochrome c peroxidase (CCP) in complex with 1-methyl-1-lambda-5-pyridin-3-yl-amine
分子名称: 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome c peroxidase
著者Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
登録日2005-10-29
公開日2006-04-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
5E1I
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Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T210
分子名称: (2S,3R,4R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-(methylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2, ...
著者Kumar, P, Ginell, S.L, Lamichhane, G.
登録日2015-09-29
公開日2016-10-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017

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