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2F00
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BU of 2f00 by Molmil
Escherichia coli MurC
分子名称: MAGNESIUM ION, UDP-N-acetylmuramate--L-alanine ligase
著者Deva, T, Baker, E.N, Squire, C.J, Smith, C.A.
登録日2005-11-10
公開日2006-10-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of Escherichia coliUDP-N-acetylmuramoyl:L-alanine ligase (MurC).
Acta Crystallogr.,Sect.D, 62, 2006
4U4S
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BU of 4u4s by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
1XS7
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BU of 1xs7 by Molmil
Crystal Structure of a cycloamide-urethane-derived novel inhibitor bound to human brain memapsin 2 (beta-secretase).
分子名称: Beta-secretase 1, N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]-2-METHYLPROPYL}AMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)-4 -ISOPROPYL-2,5,9-TRIOXO-1-OXA-3,6,10-TRIAZACYCLOHEXADECANE-7-CARBOXAMIDE
著者Ghosh, A, Devasamudram, T, Hong, L, DeZutter, C, Xu, X, Weerasena, V, Koelsch, G, Bilcer, G, Tang, J.
登録日2004-10-18
公開日2004-12-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).
Bioorg.Med.Chem.Lett., 15, 2005
4U4X
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BU of 4u4x by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
分子名称: 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
登録日2014-07-24
公開日2014-11-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
1ND4
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BU of 1nd4 by Molmil
Crystal structure of aminoglycoside-3'-phosphotransferase-IIa
分子名称: ACETATE ION, Aminoglycoside 3'-phosphotransferase, KANAMYCIN A, ...
著者Nurizzo, D, Shewry, S.C, Baker, E.N, Smith, C.A.
登録日2002-12-06
公開日2003-09-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of aminoglycoside-3'-phosphotransferase-IIa, an enzyme responsible for antibiotic resistance
J.Mol.Biol., 327, 2003
5ELV
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BU of 5elv by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L504-N775) in complex with glutamate and BPAM-521 at 1.92 A resolution
分子名称: 4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
著者Krintel, C, Juknaite, L, Frydenvang, K, Kastrup, J.S.
登録日2015-11-05
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Biophys.J., 110, 2016
2G94
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BU of 2g94 by Molmil
Crystal structure of beta-secretase bound to a potent and highly selective inhibitor.
分子名称: Beta-secretase 1, N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
著者Hong, L, Ghosh, A, Tang, J.
登録日2006-03-05
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.
J.Am.Chem.Soc., 128, 2006
4R97
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BU of 4r97 by Molmil
Crystal structure of the Fab fragment of KKO
分子名称: GLYCEROL, ZINC ION, platelet factor 4 antibody KKO heavy chain, ...
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-03
公開日2015-12-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4R9W
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BU of 4r9w by Molmil
Crystal structure of platelet factor 4 complexed with fondaparinux
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4R9Y
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BU of 4r9y by Molmil
Crystal structure of KKOFab in complex with platelet factor 4
分子名称: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.11 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
8CIP
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BU of 8cip by Molmil
Crystal structure of transketolase from Geobacillus stearothermophilus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Leogrande, C, Rabe von Pappenheim, F, Tittmann, K.
登録日2023-02-10
公開日2023-03-01
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of transketolase from Geobacillus stearothermophilus
To Be Published
2IEN
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BU of 2ien by Molmil
Crystal structure analysis of HIV-1 protease with a potent non-peptide inhibitor (UIC-94017)
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETIC ACID, CHLORIDE ION, ...
著者Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Manna, D, Hussain, A.K, Leshchenko, S, Ghosh, A.K, Louis, J.M, Harrison, R.W, Weber, I.T.
登録日2006-09-19
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High Resolution Crystal Structures of HIV-1 Protease with a Potent Non-Peptide Inhibitor (Uic-94017) Active Against Multi-Drug-Resistant Clinical Strains.
J.Mol.Biol., 338, 2004

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件を2024-09-04に公開中

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