2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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2Y80
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![BU of 2y80 by Molmil](/molmil-images/mine/2y80) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | 分子名称: | 6-CHLORO-N-{(3S)-1-[(1S)-1-(DIMETHYLAMINO)-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | 著者 | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | 登録日 | 2011-02-02 | 公開日 | 2011-03-16 | 最終更新日 | 2019-10-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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1BQL
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2F4K
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![BU of 2f4k by Molmil](/molmil-images/mine/2f4k) | Chicken villin subdomain HP-35, K65(NLE), N68H, K70(NLE), PH9 | 分子名称: | Villin-1 | 著者 | Chiu, T.K, Davies, D.R, Kubelka, J, Hofrichter, J, Eaton, W.A. | 登録日 | 2005-11-23 | 公開日 | 2006-04-11 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Sub-microsecond Protein Folding. J.Mol.Biol., 359, 2006
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1YQV
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![BU of 1yqv by Molmil](/molmil-images/mine/1yqv) | The crystal structure of the antibody Fab HyHEL5 complex with lysozyme at 1.7A resolution | 分子名称: | Hen Egg White Lysozyme, HyHEL-5 Antibody Heavy Chain, HyHEL-5 Antibody Light Chain | 著者 | Cohen, G.H, Silverton, E.W, Padlan, E.A, Dyda, F, Wibbenmeyer, J.A, Wilson, R.C, Davies, D.R. | 登録日 | 2005-02-02 | 公開日 | 2005-04-26 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Water molecules in the antibody-antigen interface of the structure of the Fab HyHEL-5-lysozyme complex at 1.7 A resolution: comparison with results from isothermal titration calorimetry. Acta Crystallogr.,Sect.D, 61, 2005
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1D3R
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![BU of 1d3r by Molmil](/molmil-images/mine/1d3r) | CRYSTAL STRUCTURE OF TRIPLEX DNA | 分子名称: | DNA (5'-D(*CP*(BRU)P*CP*CP*(BRU)P*CP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*CP*GP*GP*AP*G)-3') | 著者 | Rhee, S, Han, Z.-J, Liu, K, Todd Miles, H.T, Davies, D.R. | 登録日 | 1999-09-30 | 公開日 | 2000-01-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of a triple helical DNA with a triplex-duplex junction. Biochemistry, 38, 1999
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1BIU
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![BU of 1biu by Molmil](/molmil-images/mine/1biu) | HIV-1 INTEGRASE CORE DOMAIN COMPLEXED WITH MG++ | 分子名称: | HIV-1 INTEGRASE, MAGNESIUM ION | 著者 | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | 登録日 | 1998-06-19 | 公開日 | 1998-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proc.Natl.Acad.Sci.USA, 95, 1998
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1BIZ
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![BU of 1biz by Molmil](/molmil-images/mine/1biz) | HIV-1 INTEGRASE CORE DOMAIN | 分子名称: | CACODYLATE ION, HIV-1 INTEGRASE | 著者 | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | 登録日 | 1998-06-21 | 公開日 | 1998-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proc.Natl.Acad.Sci.USA, 95, 1998
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1DMA
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![BU of 1dma by Molmil](/molmil-images/mine/1dma) | DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH NICOTINAMIDE AND AMP | 分子名称: | ADENOSINE MONOPHOSPHATE, EXOTOXIN A, NICOTINAMIDE | 著者 | Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D. | 登録日 | 1995-04-28 | 公開日 | 1995-09-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin. Proc.Natl.Acad.Sci.USA, 92, 1995
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1BEU
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![BU of 1beu by Molmil](/molmil-images/mine/1beu) | TRP SYNTHASE (D60N-IPP-SER) WITH K+ | 分子名称: | INDOLE-3-PROPANOL PHOSPHATE, POTASSIUM ION, TRYPTOPHAN SYNTHASE, ... | 著者 | Rhee, S, Mozzarelli, A, Miles, E.W, Davies, D.R. | 登録日 | 1998-05-18 | 公開日 | 1998-08-12 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Cryocrystallography and microspectrophotometry of a mutant (alpha D60N) tryptophan synthase alpha 2 beta 2 complex reveals allosteric roles of alpha Asp60. Biochemistry, 37, 1998
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1BIS
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![BU of 1bis by Molmil](/molmil-images/mine/1bis) | HIV-1 INTEGRASE CORE DOMAIN | 分子名称: | HIV-1 INTEGRASE | 著者 | Goldgur, Y, Dyda, F, Hickman, A.B, Jenkins, T.M, Craigie, R, Davies, D.R. | 登録日 | 1998-06-19 | 公開日 | 1998-08-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium. Proc.Natl.Acad.Sci.USA, 95, 1998
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1WY4
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![BU of 1wy4 by Molmil](/molmil-images/mine/1wy4) | Chicken villin subdomain HP-35, K65(NLE), N68H, pH5.1 | 分子名称: | IODIDE ION, SODIUM ION, Villin | 著者 | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | 登録日 | 2005-02-04 | 公開日 | 2005-05-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1YRF
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![BU of 1yrf by Molmil](/molmil-images/mine/1yrf) | Chicken villin subdomain HP-35, N68H, pH6.7 | 分子名称: | ACETATE ION, SULFATE ION, Villin | 著者 | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | 登録日 | 2005-02-03 | 公開日 | 2005-05-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.07 Å) | 主引用文献 | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1YRI
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![BU of 1yri by Molmil](/molmil-images/mine/1yri) | Chicken villin subdomain HP-35, N68H, pH6.4 | 分子名称: | ACETATE ION, IODIDE ION, Villin | 著者 | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | 登録日 | 2005-02-03 | 公開日 | 2005-05-03 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2TGI
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4BUL
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![BU of 4bul by Molmil](/molmil-images/mine/4bul) | Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases | 分子名称: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ... | 著者 | Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D. | 登録日 | 2013-06-20 | 公開日 | 2013-08-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases. Bioorg.Med.Chem.Lett., 23, 2013
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1WY3
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![BU of 1wy3 by Molmil](/molmil-images/mine/1wy3) | Chicken villin subdomain HP-35, K65(NLE), N68H, pH7.0 | 分子名称: | Villin | 著者 | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | 登録日 | 2005-02-04 | 公開日 | 2005-05-03 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | 主引用文献 | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2TRS
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![BU of 2trs by Molmil](/molmil-images/mine/2trs) | CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES | 分子名称: | INDOLE-3-PROPANOL PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... | 著者 | Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R. | 登録日 | 1997-01-07 | 公開日 | 1997-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997
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2TSY
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![BU of 2tsy by Molmil](/molmil-images/mine/2tsy) | CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES | 分子名称: | SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE, ... | 著者 | Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R. | 登録日 | 1997-01-03 | 公開日 | 1997-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997
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1CI4
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![BU of 1ci4 by Molmil](/molmil-images/mine/1ci4) | |
1DHS
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2TYS
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![BU of 2tys by Molmil](/molmil-images/mine/2tys) | CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES | 分子名称: | SODIUM ION, TRYPTOPHAN SYNTHASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE | 著者 | Rhee, S, Parris, K.D, Hyde, C.C, Ahmed, S.A, Miles, E.W, Davies, D.R. | 登録日 | 1997-01-08 | 公開日 | 1997-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes. Biochemistry, 36, 1997
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7UE1
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![BU of 7ue1 by Molmil](/molmil-images/mine/7ue1) | HIV-1 Integrase Catalytic Core Domain Mutant (KGD) in Complex with Inhibitor GRL-142 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Integrase, SULFATE ION | 著者 | Aoki, M, Aoki-Ogata, H, Bulut, H, Hayashi, H, Davis, D, Hasegawa, K, Yarchoan, R, Ghosh, A.K, Pau, A.K, Mitsuya, H. | 登録日 | 2022-03-21 | 公開日 | 2023-03-22 | 最終更新日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | GRL-142 binds to and impairs HIV-1 integrase nuclear localization signal and potently suppresses highly INSTI-resistant HIV-1 variants. Sci Adv, 9, 2023
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3T0Q
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![BU of 3t0q by Molmil](/molmil-images/mine/3t0q) | Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ... | 著者 | Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S. | 登録日 | 2011-07-20 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii. Proteins, 80, 2012
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1Q5W
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![BU of 1q5w by Molmil](/molmil-images/mine/1q5w) | Ubiquitin Recognition by Npl4 Zinc-Fingers | 分子名称: | Ubiquitin, ZINC ION, homolog of yeast nuclear protein localization 4 | 著者 | Alam, S.L, Sun, J, Payne, M, Welch, B.D, Blake, B.K, Davis, D.R, Meyer, H.H, Emr, S.D, Sundquist, W.I. | 登録日 | 2003-08-11 | 公開日 | 2004-03-30 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Ubiquitin interactions of NZF zinc fingers. Embo J., 23, 2004
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