2V3E
 
 | | acid-beta-glucosidase with N-nonyl-deoxynojirimycin | | 分子名称: | (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | | 著者 | Brumshtein, B, Greenblatt, H.M, Butters, T.D, Shaaltiel, Y, Aviezer, D, Silman, I, Futerman, A.H, Sussman, J.L. | | 登録日 | 2007-06-17 | | 公開日 | 2007-08-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal Structures of Complexes of N-Butyl- and N-Nonyl-Deoxynojirimycin Bound to Acid Beta-Glucosidase: Insights Into the Mechanism of Chemical Chaperone Action in Gaucher Disease.
J.Biol.Chem., 282, 2007
|
|
7Q5X
 | | HIF PROLYL HYDROXYLASE 2 (PHD2/EGLN1) IN COMPLEX WITH 2-OXOGLUTARATE (2OG) AND HIF-2 ALPHA CODD (523-542) | | 分子名称: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Figg Jr, W.D, McDonough, M.A, Chowdhury, R, Nakashima, Y, Schofield, C.J. | | 登録日 | 2021-11-04 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Structural basis for binding of the renal carcinoma target hypoxia-inducible factor 2 alpha to prolyl hydroxylase domain 2.
Proteins, 91, 2023
|
|
2IY4
 | | X-ray structure of Dps from Listeria monocytogenes | | 分子名称: | FE (III) ION, NON-HEME IRON-CONTAINING FERRITIN | | 著者 | Ilari, A, Bellapadrona, G, Stefanini, S, Chiancone, E. | | 登録日 | 2006-07-12 | | 公開日 | 2007-01-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | The Mutations Lys 114 --> Gln and Asp 126 --> Asn Disrupt an Intersubunit Salt Bridge and Convert Listeria Innocua Dps Into its Natural Mutant Listeria Monocytogenes Dps. Effects on Protein Stability at Low Ph.
Proteins, 66, 2007
|
|
6EZR
 | |
7W00
 | | Deactive state CI from Q10 dataset, Subclass 1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-17 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
|
|
7QR6
 | |
4R54
 | | Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid | | 分子名称: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | 著者 | Pavlovsky, A.G, Viola, R.E. | | 登録日 | 2014-08-20 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
|
|
2V8J
 | |
5Y5K
 | | Time-resolved SFX structure of cytochrome P450nor : 20 ms after photo-irradiation of caged NO in the absence of NADH (NO-bound state), light data | | 分子名称: | NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. | | 登録日 | 2017-08-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
|
|
2J1M
 | | P450 BM3 Heme domain in complex with DMSO | | 分子名称: | CYTOCHROME P450 102, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Kuper, J, Tuck-Seng, W, Roccatano, D, Wilmanns, M, Schwaneberg, U. | | 登録日 | 2006-08-14 | | 公開日 | 2007-05-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Understanding a Mechanism of Organic Cosolvent Inactivation in Heme Monooxygenase P450 Bm-3.
J.Am.Chem.Soc., 129, 2007
|
|
6F1R
 | |
4M29
 | | Structure of a GH39 Beta-xylosidase from Caulobacter crescentus | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-xylosidase | | 著者 | Polo, C.C, Santos, C.R, Correa, J.M, Simao, R.C.G, Seixas, F.A.V, Murakami, M.T. | | 登録日 | 2013-08-05 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of a GH39 Beta-xylosidase from Caulobacter crescentus
Thesis
|
|
6F20
 | | Complex between MTH1 and compound 1 (a 7-azaindole-4-ester derivative) | | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate, ... | | 著者 | Viklund, J, Talagas, A, Tresaugues, L, Andersson, M, Ericsson, U, Forsblom, R, Ginman, T, Hallberg, K, Lindstrom, J, Persson, L, Silvander, C, Rahm, F. | | 登録日 | 2017-11-23 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design.
J. Med. Chem., 61, 2018
|
|
7W0R
 | | Active state CI from Q10-NADH dataset, Subclass 1 | | 分子名称: | (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | | 著者 | Gu, J.K, Yang, M.J. | | 登録日 | 2021-11-18 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | The coupling mechanism of mammalian mitochondrial complex I.
Nat.Struct.Mol.Biol., 29, 2022
|
|
6FKW
 | | Europium-containing methanol dehydrogenase | | 分子名称: | EUROPIUM ION, Methanol dehydrogenase, PYRROLOQUINOLINE QUINONE | | 著者 | Barends, T, Dietl, A. | | 登録日 | 2018-01-24 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Similar but not the same: First Kinetic and Structural Analyses of a Methanol Dehydrogenase Containing a Europium Ion in the Active Site.
Chembiochem, 2018
|
|
4R7W
 | | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine | | 分子名称: | (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide, 1,2-ETHANEDIOL, Cytosine deaminase, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | | 登録日 | 2014-08-28 | | 公開日 | 2014-09-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | | 主引用文献 | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine
To be Published
|
|
3IUP
 | |
7WBC
 | | Hydroxysteroid dehydrogenase wild-type complexed with NAD+ and (4S)-2-2-methyl-2,4-pentanediol | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | | 著者 | Shi, S.-C, Zheng, Y.-C, Xu, J.-H, Li, C.-X. | | 登録日 | 2021-12-16 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Hydroxysteroid dehydrogenase wild-type complexed with NAD+ and (4S)-2-2-methyl-2,4-pentanediol
To Be Published
|
|
6AU1
 | | Structure of the PgaB (BpsB) glycoside hydrolase domain from Bordetella bronchiseptica | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative hemin storage protein, ... | | 著者 | Little, D.J, Bamford, N.C, Howell, P.L. | | 登録日 | 2017-08-30 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | PgaB orthologues contain a glycoside hydrolase domain that cleaves deacetylated poly-beta (1,6)-N-acetylglucosamine and can disrupt bacterial biofilms.
PLoS Pathog., 14, 2018
|
|
5Y8N
 | | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + L-serine | | 分子名称: | (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ... | | 著者 | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | | 登録日 | 2017-08-21 | | 公開日 | 2018-07-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
|
|
6HXW
 | | structure of human CD73 in complex with antibody IPH53 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-nucleotidase, IPH53 heavy chain, ... | | 著者 | Roussel, A, Amigues, B. | | 登録日 | 2018-10-18 | | 公開日 | 2019-08-28 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Blocking Antibodies Targeting the CD39/CD73 Immunosuppressive Pathway Unleash Immune Responses in Combination Cancer Therapies.
Cell Rep, 27, 2019
|
|
3IW0
 | | Crystal structure of Mycobacterium tuberculosis cytochrome P450 CYP125, C2221 crystal form | | 分子名称: | Cytochrome P450 CYP125, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | McLean, K.J, Levy, C, Munro, A.W, Leys, D. | | 登録日 | 2009-09-02 | | 公開日 | 2009-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection.
J.Biol.Chem., 284, 2009
|
|
2J47
 | | Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor | | 分子名称: | (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL | | 著者 | Dennis, R.J, Davies, G.J. | | 登録日 | 2006-08-25 | | 公開日 | 2006-10-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42, 2006
|
|
3IWJ
 | | Crystal structure of aminoaldehyde dehydrogenase 2 from Pisum sativum (PsAMADH2) | | 分子名称: | GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative aminoaldehyde dehydrogenase, ... | | 著者 | Kopecny, D, Morera, S, Briozzo, P. | | 登録日 | 2009-09-02 | | 公開日 | 2010-01-19 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural and functional characterization of plant aminoaldehyde dehydrogenase from Pisum sativum with a broad specificity for natural and synthetic aminoaldehydes.
J.Mol.Biol., 396, 2010
|
|
4M1J
 | | Crystal structure of Pseudomonas aeruginosa PvdQ in complex with a transition state analogue | | 分子名称: | Acyl-homoserine lactone acylase PvdQ subunit alpha, Acyl-homoserine lactone acylase PvdQ subunit beta, GLYCEROL, ... | | 著者 | Wu, R, Clevenger, K, Er, J, Fast, W.L, Liu, D. | | 登録日 | 2013-08-02 | | 公開日 | 2013-08-28 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational Design of a Transition State Analogue with Picomolar Affinity for Pseudomonas aeruginosa PvdQ, a Siderophore Biosynthetic Enzyme.
Acs Chem.Biol., 8, 2013
|
|
