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6JZ1
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BU of 6jz1 by Molmil
Apo structure of b-glucuronidase from Ruminococcus gnavus at 1.7 Angstrom resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Beta-glucuronidase
著者Dashnyam, P, Lin, H.Y.
登録日2019-04-30
公開日2020-06-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
2JK6
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BU of 2jk6 by Molmil
Structure of Trypanothione Reductase from Leishmania infantum
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPANOTHIONE REDUCTASE
著者Baiocco, P, Colotti, G, Franceschini, S, Ilari, A.
登録日2008-08-21
公開日2009-04-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
4Q10
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BU of 4q10 by Molmil
The catalytic core of Rad2 in complex with DNA substrate (complex IV)
分子名称: CALCIUM ION, DNA (5'-D(*TP*TP*TP*TP*CP*TP*GP*AP*GP*AP*CP*AP*AP*GP*GP*GP*AP*GP*CP*TP*TP*TP*T)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*TP*CP*CP*CP*TP*TP*GP*TP*CP*TP*CP*AP*GP*TP*TP*TP*T)-3'), ...
著者Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M.
登録日2014-04-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding.
Nucleic Acids Res., 42, 2014
2JKP
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BU of 2jkp by Molmil
Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine
分子名称: 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION, ...
著者Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J.
登録日2008-08-29
公開日2008-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora.
Chem.Biol., 15, 2008
3GL2
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BU of 3gl2 by Molmil
Crystal structure of dicamba monooxygenase bound to dicamba
分子名称: 3,6-dichloro-2-methoxybenzoic acid, DdmC, FE (III) ION, ...
著者Wilson, M.A, Dumitru, R, Jiang, W.Z, Weeks, D.P.
登録日2009-03-11
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
J.Mol.Biol., 392, 2009
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.646 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
2VNV
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BU of 2vnv by Molmil
Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution
分子名称: BCLA, CALCIUM ION, SULFATE ION, ...
著者Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M.
登録日2008-02-07
公開日2008-04-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia
Biochem.J., 411, 2008
4NKO
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BU of 4nko by Molmil
Crystal structure of engineered anti-EE scFv antibody fragment
分子名称: Engineered scFv
著者Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
登録日2013-11-12
公開日2014-03-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.496 Å)
主引用文献Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014
4NKZ
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BU of 4nkz by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate 17alpha-hydroxypregnenolone
分子名称: (3alpha,8alpha)-3,17-dihydroxypregn-5-en-20-one, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NMB
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BU of 4nmb by Molmil
Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA in complex with L-lactate
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Singh, H, Almo, S.C, Tanner, J.J.
登録日2013-11-14
公開日2014-02-19
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structures of the PutA peripheral membrane flavoenzyme reveal a dynamic substrate-channeling tunnel and the quinone-binding site.
Proc.Natl.Acad.Sci.USA, 111, 2014
2VR2
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BU of 2vr2 by Molmil
Human Dihydropyrimidinase
分子名称: CHLORIDE ION, DIHYDROPYRIMIDINASE, ZINC ION
著者Welin, M, Karlberg, T, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wikstrom, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2008-03-25
公開日2008-04-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of Human Dihydropyrimidinase
To be Published
2VYA
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BU of 2vya by Molmil
Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750
分子名称: 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ...
著者Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C.
登録日2008-07-22
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
4PYS
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BU of 4pys by Molmil
The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343
分子名称: FORMIC ACID, GLYCEROL, ZINC ION, ...
著者Tan, K, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-03-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343
To be Published
3GTH
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BU of 3gth by Molmil
D71G/E101G/M234I mutant in organophosphorus hydrolase from Deinococcus radiodurans
分子名称: COBALT (II) ION, FORMIC ACID, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-27
公開日2009-06-30
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
4PXL
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BU of 4pxl by Molmil
Structure of Zm ALDH2-3 (RF2C) in complex with NAD
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Cytosolic aldehyde dehydrogenase RF2C, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2014-03-24
公開日2015-03-18
最終更新日2015-05-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.
Biochem.J., 468, 2015
3GTS
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BU of 3gts by Molmil
Crystal Structure of Dicamba Monooxygenase with Non-heme Iron and Dicamba
分子名称: 3,6-dichloro-2-methoxybenzoic acid, DdmC, FE (III) ION, ...
著者Rydel, T.J, Sturman, E.J, Moshiri, F, Brown, G.R, Qi, Y.
登録日2009-03-28
公開日2009-07-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
J.Mol.Biol., 392, 2009
2WAO
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BU of 2wao by Molmil
Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose
分子名称: ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J.
登録日2009-02-10
公開日2009-10-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
4NRW
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BU of 4nrw by Molmil
MvNei1-G86D
分子名称: 5'-D(*CP*GP*TP*CP*CP*AP*(3DR)P*GP*TP*CP*TP*AP*C)-3', 5'-D(*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*G)-3', formamidopyrimidine-DNA glycosylase
著者Prakash, A, Doublie, S.
登録日2013-11-27
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.845 Å)
主引用文献Genome and cancer single nucleotide polymorphisms of the human NEIL1 DNA glycosylase: Activity, structure, and the effect of editing.
Dna Repair, 14, 2014
4NZ5
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BU of 4nz5 by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and cadmium ion
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CADMIUM ION, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-11-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.874 Å)
主引用文献Vibrio cholerae protein
To be Published
3GU2
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BU of 3gu2 by Molmil
Y97L/G100-/E101- mutant in organophosphorus hydrolase
分子名称: COBALT (II) ION, Organophosphorus hydrolase
著者Hawwa, R, Larsen, S, Ratia, K, Mesecar, A.
登録日2009-03-28
公開日2009-06-30
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based and random mutagenesis approaches increase the organophosphate-degrading activity of a phosphotriesterase homologue from Deinococcus radiodurans.
J.Mol.Biol., 393, 2009
4NSG
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BU of 4nsg by Molmil
Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 1.5418A
分子名称: ACETATE ION, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Levy, C, Schreurs, A.M.M, Helliwell, J.R.
登録日2013-11-28
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carboplatin binding to histidine.
Acta Crystallogr F Struct Biol Commun, 70, 2014
6D24
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BU of 6d24 by Molmil
Trypanosoma cruzi Glucose-6-P Dehydrogenase in complex with G6P
分子名称: 6-O-phosphono-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Botti, H, Ortiz, C, Comini, M.A, Larrieux, N, Buschiazzo, A.
登録日2018-04-12
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Glucose-6-Phosphate Dehydrogenase from the Human Pathogen Trypanosoma cruzi Evolved Unique Structural Features to Support Efficient Product Formation.
J.Mol.Biol., 431, 2019
6CR2
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BU of 6cr2 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
分子名称: 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE
著者Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
4O08
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BU of 4o08 by Molmil
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
分子名称: 2-phenoxyacetamide, SULFATE ION, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-12-13
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
3KX5
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BU of 3kx5 by Molmil
Crystal structure of Bacillus megaterium BM3 heme domain mutant F261E
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W.
登録日2009-12-02
公開日2010-05-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.686 Å)
主引用文献Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3.
Biochem.J., 427, 2010

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