4YTH
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5EA6
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![BU of 5ea6 by Molmil](/molmil-images/mine/5ea6) | Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein | 分子名称: | (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Fusion glycoprotein F0, ... | 著者 | Battles, M.B, McLellan, J.S, Arnoult, E, Roymans, D, Langedijk, J.P. | 登録日 | 2015-10-15 | 公開日 | 2015-12-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Molecular mechanism of respiratory syncytial virus fusion inhibitors. Nat.Chem.Biol., 12, 2016
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1A4Q
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![BU of 1a4q by Molmil](/molmil-images/mine/1a4q) | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ... | 著者 | Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J. | 登録日 | 1998-01-30 | 公開日 | 1999-03-02 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. J.Med.Chem., 41, 1998
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1CTE
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6AMF
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![BU of 6amf by Molmil](/molmil-images/mine/6amf) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23K/L36E at cryogenic temperature | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Robinson, A.C, Schlessman, J.L, Garcia-Moreno E, B. | 登録日 | 2017-08-09 | 公開日 | 2017-09-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Dielectric Properties of a Protein Probed by Reversal of a Buried Ion Pair. J Phys Chem B, 122, 2018
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5VP0
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![BU of 5vp0 by Molmil](/molmil-images/mine/5vp0) | Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders | 分子名称: | MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ... | 著者 | Hoffman, I.D. | 登録日 | 2017-05-03 | 公開日 | 2017-08-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders. J. Med. Chem., 60, 2017
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4LWV
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![BU of 4lwv by Molmil](/molmil-images/mine/4lwv) | The 2.3A Crystal Structure of Humanized Xenopus MDM2 with RO5545353 | 分子名称: | (2S,3R,4R,5R)-N-(4-carbamoyl-2-methoxyphenyl)-2'-chloro-4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5'-oxo-4',5'-dihydrospiro[pyrrolidine-3,6'-thieno[3,2-b]pyrrole]-5-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Graves, B.J, Lukacs, C, Janson, C.A. | 登録日 | 2013-07-28 | 公開日 | 2014-07-02 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development. ACS MED.CHEM.LETT., 5, 2014
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4BP8
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2XCR
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![BU of 2xcr by Molmil](/molmil-images/mine/2xcr) | The 3.5A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus DNA Gyrase complexed with GSK299423 and DNA | 分子名称: | 5'-D(*5UA*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP *GP*CP*TP)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, ... | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | 登録日 | 2010-04-25 | 公開日 | 2010-08-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents. Nature, 466, 2010
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1LTR
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![BU of 1ltr by Molmil](/molmil-images/mine/1ltr) | CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY | 分子名称: | HEAT-LABILE ENTEROTOXIN, SULFATE ION | 著者 | Matkovic-Calogovic, D, Loreggian, A, Palu, G, Zanotti, G. | 登録日 | 1998-07-31 | 公開日 | 1999-02-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity. J.Biol.Chem., 274, 1999
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4BWG
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![BU of 4bwg by Molmil](/molmil-images/mine/4bwg) | Structural basis of subtilase cytotoxin SubAB assembly | 分子名称: | GLYCEROL, SUBA, SUBTILASE CYTOTOXIN, ... | 著者 | Le Nours, J, Paton, A.W, Byres, E, Troy, S, Herdman, B.P, Johnson, M.D, Paton, J.C, Rossjohn, J, Beddoe, T. | 登録日 | 2013-07-02 | 公開日 | 2013-08-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis of Subtilase Cytotoxin Subab Assembly. J.Biol.Chem., 288, 2013
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2Q6J
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![BU of 2q6j by Molmil](/molmil-images/mine/2q6j) | Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand | 分子名称: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide | 著者 | Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. | 登録日 | 2007-06-05 | 公開日 | 2007-06-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007
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2XE4
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![BU of 2xe4 by Molmil](/molmil-images/mine/2xe4) | Structure of Oligopeptidase B from Leishmania major | 分子名称: | ANTIPAIN, CHLORIDE ION, GLYCEROL, ... | 著者 | McLuskey, K, Paterson, N.G, Bland, N.D, Mottram, J.C, Isaacs, N.W. | 登録日 | 2010-05-11 | 公開日 | 2010-10-06 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal Structure of Leishmania Major Oligopeptidase B Gives Insight Into the Enzymatic Properties of a Trypanosomatid Virulence Factor. J.Biol.Chem., 285, 2010
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5TJ4
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3L89
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1N9K
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![BU of 1n9k by Molmil](/molmil-images/mine/1n9k) | Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution | 分子名称: | BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION | 著者 | Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S. | 登録日 | 2002-11-25 | 公開日 | 2004-02-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold. J.Mol.Biol., 335, 2004
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4A79
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![BU of 4a79 by Molmil](/molmil-images/mine/4a79) | Crystal structure of human monoamine oxidase B (MAO B) in complex with pioglitazone | 分子名称: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E. | 登録日 | 2011-11-11 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs Acs Med. Chem. Lett., 3, 2012
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4A7A
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![BU of 4a7a by Molmil](/molmil-images/mine/4a7a) | Crystal structure of human monoamine oxidase B (MAO B) in complex with rosiglitazone | 分子名称: | (R)-ROSIGLITAZONE, AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Binda, C, Aldeco, M, Geldenhuys, W.J, Tortorici, M, Mattevi, A, Edmondson, D.E. | 登録日 | 2011-11-11 | 公開日 | 2012-04-25 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular Insights Into Human Monoamine Oxidase B Inhibition by the Glitazone Anti-Diabetes Drugs Acs Med. Chem. Lett., 3, 2012
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6GQG
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5LAW
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![BU of 5law by Molmil](/molmil-images/mine/5law) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14 | 分子名称: | 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5LAZ
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![BU of 5laz by Molmil](/molmil-images/mine/5laz) | Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252 | 分子名称: | 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ... | 著者 | Kessler, D, Gollner, A. | 登録日 | 2016-06-15 | 公開日 | 2016-11-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction. J. Med. Chem., 59, 2016
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5E9X
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1DBO
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![BU of 1dbo by Molmil](/molmil-images/mine/1dbo) | CRYSTAL STRUCTURE OF CHONDROITINASE B | 分子名称: | 4-deoxy-alpha-D-glucopyranose-(1-3)-[beta-D-glucopyranose-(1-4)]2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CHONDROITINASE B | 著者 | Huang, W, Matte, A, Li, Y, Kim, Y.S, Linhardt, R.J, Su, H, Cygler, M. | 登録日 | 1999-11-03 | 公開日 | 2000-01-12 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of chondroitinase B from Flavobacterium heparinum and its complex with a disaccharide product at 1.7 A resolution. J.Mol.Biol., 294, 1999
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3IXF
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![BU of 3ixf by Molmil](/molmil-images/mine/3ixf) | Crystal Structure of Dehaloperoxidase B at 1.58 and Structural Characterization of the AB Dimer from Amphitrite ornata | 分子名称: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | de Serrano, V.S, D'Antonio, J, Thompson, M.K, Franzen, S, Ghiladi, R.A. | 登録日 | 2009-09-03 | 公開日 | 2010-05-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structure of dehaloperoxidase B at 1.58 A resolution and structural characterization of the AB dimer from Amphitrite ornata. Acta Crystallogr.,Sect.D, 66, 2010
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5CJM
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