7XN9
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![BU of 7xn9 by Molmil](/molmil-images/mine/7xn9) | Crystal structure of SSTR2 and L-054,522 complex | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate | 著者 | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | 登録日 | 2022-04-28 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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2WBG
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![BU of 2wbg by Molmil](/molmil-images/mine/2wbg) | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine | 分子名称: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A | 著者 | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | 登録日 | 2009-02-27 | 公開日 | 2009-04-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
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4KPB
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![BU of 4kpb by Molmil](/molmil-images/mine/4kpb) | Crystal structure of cytochrome P450 BM-3 R47E mutant | 分子名称: | Cytochrome P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Sadre-Bazzaz, K, Catalano, J, McDermott, A.E, Tong, L. | 登録日 | 2013-05-13 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
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3HU9
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![BU of 3hu9 by Molmil](/molmil-images/mine/3hu9) | Nitrosobenzene in complex with T4 lysozyme L99A/M102Q | 分子名称: | Lysozyme, NITROSOBENZENE, PHOSPHATE ION | 著者 | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | 登録日 | 2009-06-13 | 公開日 | 2009-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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3HYC
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5WW7
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![BU of 5ww7 by Molmil](/molmil-images/mine/5ww7) | |
5WMS
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![BU of 5wms by Molmil](/molmil-images/mine/5wms) | Phosphotriesterase variant S7 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | 著者 | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | 登録日 | 2017-07-31 | 公開日 | 2019-01-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Phosphotriesterase variant S7 To Be Published
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2W67
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![BU of 2w67 by Molmil](/molmil-images/mine/2w67) | BtGH84 in complex with FMA34 | 分子名称: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | 著者 | He, Y, Davies, G.J. | 登録日 | 2008-12-17 | 公開日 | 2009-04-14 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
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4K3A
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![BU of 4k3a by Molmil](/molmil-images/mine/4k3a) | The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase | 分子名称: | SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase | 著者 | Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. | 登録日 | 2013-04-10 | 公開日 | 2013-10-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The structure of a glycoside hydrolase family 81
endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
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2WBK
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![BU of 2wbk by Molmil](/molmil-images/mine/2wbk) | Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis | 分子名称: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... | 著者 | Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. | 登録日 | 2009-03-02 | 公開日 | 2009-03-17 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis. Cell(Cambridge,Mass.), 18, 2009
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2X42
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4KKY
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6F78
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![BU of 6f78 by Molmil](/molmil-images/mine/6f78) | Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid | 分子名称: | 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... | 著者 | Goyal, P, Wahlgren, W.Y, Friemann, R. | 登録日 | 2017-12-07 | 公開日 | 2018-04-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
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5WM0
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6FFH
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![BU of 6ffh by Molmil](/molmil-images/mine/6ffh) | Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. | 登録日 | 2018-01-08 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
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6CDN
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![BU of 6cdn by Molmil](/molmil-images/mine/6cdn) | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | 著者 | Liu, A, Li, J, Shin, I. | 登録日 | 2018-02-08 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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3I62
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6F8A
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3FWG
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![BU of 3fwg by Molmil](/molmil-images/mine/3fwg) | Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | 著者 | Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. | 登録日 | 2009-01-18 | 公開日 | 2009-03-03 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
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6CA3
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![BU of 6ca3 by Molmil](/molmil-images/mine/6ca3) | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol | 分子名称: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... | 著者 | Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) | 登録日 | 2018-01-29 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.743 Å) | 主引用文献 | THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol To Be Published
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2WIJ
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![BU of 2wij by Molmil](/molmil-images/mine/2wij) | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | 登録日 | 2009-05-12 | 公開日 | 2009-05-19 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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4K9D
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6FAR
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![BU of 6far by Molmil](/molmil-images/mine/6far) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole | 分子名称: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose | 著者 | Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. | 登録日 | 2017-12-16 | 公開日 | 2018-03-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
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7RAD
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![BU of 7rad by Molmil](/molmil-images/mine/7rad) | Crystal Structure Analysis of ALDH1B1 | 分子名称: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... | 著者 | Fernandez, D, Chen, J.K. | 登録日 | 2021-07-01 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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6BOW
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