5YOJ
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![BU of 5yoj by Molmil](/molmil-images/mine/5yoj) | Structure of A17 HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, A17 HIV-1 protease, GLYCEROL | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-11 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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4UD7
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![BU of 4ud7 by Molmil](/molmil-images/mine/4ud7) | Structure of the stapled peptide YS-02 bound to MDM2 | 分子名称: | MDM2, YS-02 | 著者 | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | 登録日 | 2014-12-08 | 公開日 | 2016-01-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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4UE1
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![BU of 4ue1 by Molmil](/molmil-images/mine/4ue1) | Structure of the stapled peptide YS-01 bound to MDM2 | 分子名称: | E3 UBIQUITIN-PROTEIN LIGASE MDM2, YS-01 | 著者 | Tan, Y.S, Reeks, J, Brown, C.J, Jennings, C.E, Eapen, R.S, Tng, Q.S, Thean, D, Ying, Y.T, Gago, F.J.F, Lane, D.P, Noble, M.E.M, Verma, C. | 登録日 | 2014-12-14 | 公開日 | 2016-01-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Benzene Probes in Molecular Dynamics Simulations Reveal Novel Binding Sites for Ligand Design. J Phys Chem Lett, 7, 2016
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5YOK
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![BU of 5yok by Molmil](/molmil-images/mine/5yok) | Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 | 分子名称: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE | 著者 | Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. | 登録日 | 2017-10-29 | 公開日 | 2018-07-18 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (0.85 Å) | 主引用文献 | Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018
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4Z0M
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![BU of 4z0m by Molmil](/molmil-images/mine/4z0m) | |
2QXU
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![BU of 2qxu by Molmil](/molmil-images/mine/2qxu) | |
4LR6
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![BU of 4lr6 by Molmil](/molmil-images/mine/4lr6) | Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment | 分子名称: | 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID | 著者 | Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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4LRG
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![BU of 4lrg by Molmil](/molmil-images/mine/4lrg) | Structure of BRD4 bromodomain 1 with a dimethyl thiophene isoxazole azepine carboxamide | 分子名称: | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide, Bromodomain-containing protein 4 | 著者 | Ravichandran, S, Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S. | 登録日 | 2013-07-19 | 公開日 | 2013-08-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors. ACS Med Chem Lett, 4, 2013
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4BEA
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![BU of 4bea by Molmil](/molmil-images/mine/4bea) | Crystal Structure of eIF4E in Complex with a Stapled Peptide Derivative | 分子名称: | Eukaryotic translation initiation factor 4E, STAPLED EIF4E INTERACTING PEPTIDE | 著者 | Quah, S.T, Lama, D, Verma, C.S, Lane, D.P, Brown, C.J. | 登録日 | 2013-03-07 | 公開日 | 2013-12-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.57 Å) | 主引用文献 | Rational Optimization of Conformational Effects Induced by Hydrocarbon Staples in Peptides and Their Binding Interfaces. Sci.Rep., 3, 2013
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1M26
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![BU of 1m26 by Molmil](/molmil-images/mine/1m26) | Crystal structure of jacalin-T-antigen complex | 分子名称: | Jacalin, alpha chain, beta chain, ... | 著者 | Jeyaprakash, A.A, Rani, P.G, Reddy, G.B, Banumathi, S, Betzel, C, Surolia, A, Vijayan, M. | 登録日 | 2002-06-21 | 公開日 | 2002-10-12 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Crystal structure of the jacalin-T-antigen complex and a
comparative study of lectin-T-antigen complexs J.Mol.Biol., 321, 2002
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2QXT
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![BU of 2qxt by Molmil](/molmil-images/mine/2qxt) | |
1WS4
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![BU of 1ws4 by Molmil](/molmil-images/mine/1ws4) | Crystal structure of Jacalin- Me-alpha-Mannose complex: Promiscuity vs Specificity | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-galactopyranoside, ... | 著者 | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2004-10-31 | 公開日 | 2005-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity J.Mol.Biol., 347, 2005
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1WS5
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![BU of 1ws5 by Molmil](/molmil-images/mine/1ws5) | Crystal structure of Jacalin-Me-alpha-Mannose complex: Promiscuity vs Specificity | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-mannopyranoside | 著者 | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2004-10-31 | 公開日 | 2005-03-29 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity J.Mol.Biol., 347, 2005
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1UH1
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![BU of 1uh1 by Molmil](/molmil-images/mine/1uh1) | Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-23 | 公開日 | 2003-09-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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1UGW
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![BU of 1ugw by Molmil](/molmil-images/mine/1ugw) | Crystal structure of jacalin- Gal complex | 分子名称: | Agglutinin alpha chain, Agglutinin alpha-chain, Agglutinin beta-3 chain, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-22 | 公開日 | 2003-09-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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1UH0
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![BU of 1uh0 by Molmil](/molmil-images/mine/1uh0) | Crystal structure of jacalin- Me-alpha-GalNAc complex | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-23 | 公開日 | 2003-09-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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1UGY
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![BU of 1ugy by Molmil](/molmil-images/mine/1ugy) | Crystal structure of jacalin- mellibiose (Gal-alpha(1-6)-Glc) complex | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose, ... | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-23 | 公開日 | 2003-09-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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1UGX
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![BU of 1ugx by Molmil](/molmil-images/mine/1ugx) | Crystal structure of jacalin- Me-alpha-T-antigen (Gal-beta(1-3)-GalNAc-alpha-o-Me) complex | 分子名称: | Agglutinin alpha chain, Agglutinin beta-3 chain, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside | 著者 | Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M. | 登録日 | 2003-06-22 | 公開日 | 2003-09-23 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study J.MOL.BIOL., 332, 2003
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1VBP
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![BU of 1vbp by Molmil](/molmil-images/mine/1vbp) | Crystal structure of artocarpin-mannopentose complex | 分子名称: | SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | 著者 | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | 登録日 | 2004-02-28 | 公開日 | 2004-06-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity J.Mol.Biol., 338, 2004
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1VBO
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![BU of 1vbo by Molmil](/molmil-images/mine/1vbo) | Crystal structure of artocarpin-mannotriose complex | 分子名称: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin | 著者 | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | 登録日 | 2004-02-28 | 公開日 | 2004-06-15 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity J.Mol.Biol., 338, 2004
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4R6N
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![BU of 4r6n by Molmil](/molmil-images/mine/4r6n) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6R
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![BU of 4r6r by Molmil](/molmil-images/mine/4r6r) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6Q
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![BU of 4r6q by Molmil](/molmil-images/mine/4r6q) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6O
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![BU of 4r6o by Molmil](/molmil-images/mine/4r6o) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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4R6P
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![BU of 4r6p by Molmil](/molmil-images/mine/4r6p) | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | 分子名称: | 1,2-ETHANEDIOL, 4-METHYL-2H-CHROMEN-2-ONE, Agglutinin alpha chain, ... | 著者 | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | 登録日 | 2014-08-26 | 公開日 | 2015-02-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
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