4NKY
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4NMF
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![BU of 4nmf by Molmil](/molmil-images/mine/4nmf) | Crystal structure of proline utilization A (PutA) from Geobacter sulfurreducens PCA inactivated by N-propargylglycine and complexed with menadione bisulfite | 分子名称: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid, 1,2-ETHANEDIOL, ... | 著者 | Singh, H, Tanner, J.J. | 登録日 | 2013-11-14 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.95 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
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4NRE
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![BU of 4nre by Molmil](/molmil-images/mine/4nre) | The structure of human 15-lipoxygenase-2 with a substrate mimic | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Arachidonate 15-lipoxygenase B, CALCIUM ION, ... | 著者 | Kobe, M.J, Neau, D.B, Mitchell, C.E, Bartlett, S.G, Newcomer, M.E. | 登録日 | 2013-11-26 | 公開日 | 2014-02-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | The structure of human 15-lipoxygenase-2 with a substrate mimic. J.Biol.Chem., 289, 2014
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6H6E
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![BU of 6h6e by Molmil](/molmil-images/mine/6h6e) | PTC3 holotoxin complex from Photorhabdus luminecens in prepore state (TcdA1, TcdB2, TccC3) | 分子名称: | TcdA1, TcdB2,TccC3 | 著者 | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | 登録日 | 2018-07-27 | 公開日 | 2018-10-03 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | 主引用文献 | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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2WIV
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![BU of 2wiv by Molmil](/molmil-images/mine/2wiv) | Cytochrome-P450 XplA heme domain P21 | 分子名称: | CYTOCHROME P450-LIKE PROTEIN XPLA, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sabbadin, F, Jackson, R, Bruce, N.C, Grogan, G. | 登録日 | 2009-05-18 | 公開日 | 2009-08-18 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The 1.5-A Structure of Xpla-Heme, an Unusual Cytochrome P450 Heme Domain that Catalyzes Reductive Biotransformation of Royal Demolition Explosive. J.Biol.Chem., 284, 2009
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6GUI
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![BU of 6gui by Molmil](/molmil-images/mine/6gui) | Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus | 分子名称: | GLYCEROL, Siderophore esterase IroE-like, putative | 著者 | Ecker, F, Haas, H, Groll, M, Huber, E.M. | 登録日 | 2018-06-19 | 公開日 | 2018-08-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl., 57, 2018
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2WJ1
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![BU of 2wj1 by Molmil](/molmil-images/mine/2wj1) | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(4-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole | 分子名称: | 7-phenyl-1-(4-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1 | 著者 | Mileni, M, Garfunkle, J, DeMartino, J.K, Cravatt, B.F, Boger, D.L, Stevens, R.C. | 登録日 | 2009-05-19 | 公開日 | 2009-09-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Binding and Inactivation Mechanism of a Humanized Fatty Acid Amide Hydrolase by Alpha-Ketoheterocycle Inhibitors Revealed from Cocrystal Structures. J.Am.Chem.Soc., 131, 2009
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4NSH
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![BU of 4nsh by Molmil](/molmil-images/mine/4nsh) | Carboplatin binding to HEWL in 0.2M NH4SO4, 0.1M NaAc in 25% PEG 4000 at pH 4.6 | 分子名称: | ACETATE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | 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 (2.1 Å) | 主引用文献 | Carboplatin binding to histidine. Acta Crystallogr F Struct Biol Commun, 70, 2014
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5Y1U
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![BU of 5y1u by Molmil](/molmil-images/mine/5y1u) | Crystal structure of RBBP4 bound to AEBP2 RRK motif | 分子名称: | Histone-binding protein RBBP4, SULFATE ION, Zinc finger protein AEBP2 | 著者 | Sun, A, Li, F, Wu, J, Shi, Y. | 登録日 | 2017-07-21 | 公開日 | 2018-04-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.141 Å) | 主引用文献 | Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4 Protein Cell, 2017
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3DNA
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7XMJ
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6GFV
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![BU of 6gfv by Molmil](/molmil-images/mine/6gfv) | M tuberculosis LpqI | 分子名称: | Probable conserved lipoprotein LpqI | 著者 | Moynihan, P.J, Lovering, A.L. | 登録日 | 2018-05-02 | 公開日 | 2019-05-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The hydrolase LpqI primes mycobacterial peptidoglycan recycling. Nat Commun, 10, 2019
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6GVD
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![BU of 6gvd by Molmil](/molmil-images/mine/6gvd) | Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose | 分子名称: | (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Alpha-galactosidase, MAGNESIUM ION, ... | 著者 | Gloster, T.M, Pengelly, R.J. | 登録日 | 2018-06-20 | 公開日 | 2018-08-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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6D1V
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4NEV
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![BU of 4nev by Molmil](/molmil-images/mine/4nev) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | 登録日 | 2013-10-30 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem, 9, 2014
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3KGQ
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![BU of 3kgq by Molmil](/molmil-images/mine/3kgq) | Carboxypeptidase A liganded to an organic small-molecule: conformational changes | 分子名称: | ACETONE, CITRIC ACID, Carboxypeptidase A1, ... | 著者 | Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J. | 登録日 | 2009-10-29 | 公開日 | 2010-10-27 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A Enzyme Res, 2011, 2011
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4TN3
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![BU of 4tn3 by Molmil](/molmil-images/mine/4tn3) | Structure of the BBox-Coiled-coil region of Rhesus Trim5alpha | 分子名称: | TRIM5/cyclophilin A fusion protein/T4 Lysozyme chimera, ZINC ION | 著者 | Kirkpatrick, J.J, Stoye, J.P, Taylor, I.A, Goldstone, D.C. | 登録日 | 2014-06-03 | 公開日 | 2014-07-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.1989 Å) | 主引用文献 | Structural studies of postentry restriction factors reveal antiparallel dimers that enable avid binding to the HIV-1 capsid lattice. Proc.Natl.Acad.Sci.USA, 111, 2014
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5Y8I
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![BU of 5y8i by Molmil](/molmil-images/mine/5y8i) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + (S)-3-hydroxyisobutyrate (S-HIBA) | 分子名称: | (2S)-2-methyl-3-oxidanyl-propanoic acid, (2~{S})-2-methylpentanedioic 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 (2.04 Å) | 主引用文献 | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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4NPC
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![BU of 4npc by Molmil](/molmil-images/mine/4npc) | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis | 分子名称: | ACETATE ION, Sorbitol dehydrogenase | 著者 | Dranow, D.M, Davies, D.R, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | 登録日 | 2013-11-21 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal Structure of an Oxidoreductase, Short-Chain Dehydrogenase/Reductase Family Protein from Brucella suis To be Published
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4NPR
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![BU of 4npr by Molmil](/molmil-images/mine/4npr) | Crystal Structure of the Family 12 Xyloglucanase from Aspergillus niveus | 分子名称: | SULFATE ION, Xyloglucan-specific endo-beta-1,4-glucanase GH12 | 著者 | Cordeiro, R.L, Santos, C.R, Furtado, G.P, Damasio, A.R.L, Polizeli, M.L.T.M, Ward, R.J, Murakami, M.T. | 登録日 | 2013-11-22 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of the Family 12 Xyloglucanase from Aspergillus niveus To be Published
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4RKW
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![BU of 4rkw by Molmil](/molmil-images/mine/4rkw) | Crystal structure of DJ-1 | 分子名称: | Protein DJ-1 | 著者 | Liddington, R.C. | 登録日 | 2014-10-14 | 公開日 | 2015-08-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Transnitrosylation from DJ-1 to PTEN attenuates neuronal cell death in parkinson's disease models. J.Neurosci., 34, 2014
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6GK0
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![BU of 6gk0 by Molmil](/molmil-images/mine/6gk0) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | 分子名称: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | 著者 | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | 登録日 | 2018-05-17 | 公開日 | 2019-11-27 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology. J.Biol.Chem., 295, 2020
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5Y1I
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![BU of 5y1i by Molmil](/molmil-images/mine/5y1i) | The crystal structure of GfsF | 分子名称: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Miyanaga, A, Kudo, F, Eguchi, T. | 登録日 | 2017-07-20 | 公開日 | 2017-09-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Substrate Recognition by a Dual-Function P450 Monooxygenase GfsF Involved in FD-891 Biosynthesis Chembiochem, 18, 2017
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4NGK
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![BU of 4ngk by Molmil](/molmil-images/mine/4ngk) | Previously de-ionized HEW lysozyme batch crystallized in 0.2 M CoCl2 | 分子名称: | CHLORIDE ION, COBALT (II) ION, Lysozyme C | 著者 | Benas, P, Legrand, L, Ries-Kautt, M. | 登録日 | 2013-11-02 | 公開日 | 2014-05-28 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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7XPI
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![BU of 7xpi by Molmil](/molmil-images/mine/7xpi) | Structure of a oxidoreductase | 分子名称: | Apoptosis inducing factor mitochondria associated 2, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Lv, Y, Sun, Q, Wang, Q, Zhu, D. | 登録日 | 2022-05-04 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural insights into FSP1 catalysis and ferroptosis inhibition. Nat Commun, 14, 2023
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