4P23
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![BU of 4p23 by Molmil](/molmil-images/mine/4p23) | J809.B5 TCR bound to IAb/3K | 分子名称: | 3K peptide and MHC IAb beta chain,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | 著者 | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L. | 登録日 | 2014-02-28 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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4P46
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![BU of 4p46 by Molmil](/molmil-images/mine/4p46) | J809.B5 Y31A TCR bound to IAb3K | 分子名称: | 3K Peptide,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | 著者 | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L.J. | 登録日 | 2014-03-11 | 公開日 | 2014-05-28 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.851 Å) | 主引用文献 | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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2WYN
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![BU of 2wyn by Molmil](/molmil-images/mine/2wyn) | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | 分子名称: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | 著者 | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | 登録日 | 2009-11-17 | 公開日 | 2010-09-29 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem.Commun.(Camb.), 46, 2010
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4A6C
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![BU of 4a6c by Molmil](/molmil-images/mine/4a6c) | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | 分子名称: | METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | 著者 | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | 登録日 | 2011-11-01 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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4A6B
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![BU of 4a6b by Molmil](/molmil-images/mine/4a6b) | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | 分子名称: | METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | 著者 | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | 登録日 | 2011-11-01 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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4CO6
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![BU of 4co6 by Molmil](/molmil-images/mine/4co6) | Crystal structure of the Nipah virus RNA free nucleoprotein- phosphoprotein complex | 分子名称: | BROMIDE ION, CHLORIDE ION, NUCLEOPROTEIN, ... | 著者 | Yabukarksi, F, Lawrence, P, Tarbouriech, N, Bourhis, J.M, Jensen, M.R, Ruigrok, R.W.H, Blackledge, M, Volchkov, V, Jamin, M. | 登録日 | 2014-01-27 | 公開日 | 2014-08-13 | 最終更新日 | 2014-09-17 | 実験手法 | X-RAY DIFFRACTION (2.498 Å) | 主引用文献 | Structure of Nipah Virus Unassembled Nucleoprotein in Complex with its Viral Chaperone. Nat.Struct.Mol.Biol., 21, 2014
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4A4Q
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![BU of 4a4q by Molmil](/molmil-images/mine/4a4q) | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | 分子名称: | PROTEASE, methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | 著者 | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B, Unge, J, Larhed, M. | 登録日 | 2011-10-19 | 公開日 | 2012-11-07 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors. J.Med.Chem., 55, 2012
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3TBY
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![BU of 3tby by Molmil](/molmil-images/mine/3tby) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4F) | 分子名称: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | 著者 | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | 登録日 | 2011-08-08 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3TBV
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![BU of 3tbv by Molmil](/molmil-images/mine/3tbv) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G,V3P,Y4A) | 分子名称: | Beta-2-microglobulin, GLYCEROL, Glycoprotein G1, ... | 著者 | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | 登録日 | 2011-08-08 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3TBW
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![BU of 3tbw by Molmil](/molmil-images/mine/3tbw) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (A2G, V3P, Y4S) | 分子名称: | Beta-2-microglobulin, GLYCOPROTEIN GPC, H-2 class I histocompatibility antigen, ... | 著者 | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | 登録日 | 2011-08-08 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3TBT
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![BU of 3tbt by Molmil](/molmil-images/mine/3tbt) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH THE LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P, Y4S) | 分子名称: | Beta-2-microglobulin, GLYCOPROTEIN G1, H-2 class I histocompatibility antigen, ... | 著者 | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | 登録日 | 2011-08-08 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3TBS
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![BU of 3tbs by Molmil](/molmil-images/mine/3tbs) | CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX THE WITH LCMV-DERIVED GP33 ALTERED PEPTIDE ligand (V3P,Y4A) | 分子名称: | Beta-2-microglobulin, GLYCEROL, GLYCOPROTEIN G1, ... | 著者 | Duru, A.D, Allerbring, E.B, Uchtenhagen, H, Mazumdar, P.A, Badia-Martinez, D, Madhurantakam, C, Sandalova, T, Nygren, P, Achour, A. | 登録日 | 2011-08-08 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Conversion of a T cell viral antagonist into an agonist through higher stabilization and conserved molecular mimicry: Implications for TCR recognition To be Published
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3E64
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![BU of 3e64 by Molmil](/molmil-images/mine/3e64) | Fragment based discovery of JAK-2 inhibitors | 分子名称: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | 登録日 | 2008-08-14 | 公開日 | 2008-10-14 | 最終更新日 | 2012-02-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1CIS
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5O33
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![BU of 5o33 by Molmil](/molmil-images/mine/5o33) | A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1 | 分子名称: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Kalirin, ... | 著者 | Gray, J, Krojer, T, Talon, R, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F. | 登録日 | 2017-05-23 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1 To Be Published
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1YJD
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![BU of 1yjd by Molmil](/molmil-images/mine/1yjd) | Crystal structure of human CD28 in complex with the Fab fragment of a mitogenic antibody (5.11A1) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab fragment of 5.11A1 antibody heavy chain, Fab fragment of 5.11A1 antibody light chain, ... | 著者 | Evans, E.J, Esnouf, R.M, Manso-Sancho, R, Gilbert, R.J.C, James, J.R, Sorensen, P, Stuart, D.I, Davis, S.J. | 登録日 | 2005-01-14 | 公開日 | 2005-02-15 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of a soluble CD28-Fab complex Nat.Immunol., 6, 2005
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2OSE
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![BU of 2ose by Molmil](/molmil-images/mine/2ose) | Crystal Structure of the Mimivirus Cyclophilin | 分子名称: | CHLORIDE ION, Probable peptidyl-prolyl cis-trans isomerase | 著者 | Eisenmesser, E.Z, Thai, V, Renesto, P, Raoult, D. | 登録日 | 2007-02-05 | 公開日 | 2007-12-18 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Structural, biochemical, and in vivo characterization of the first virally encoded cyclophilin from the Mimivirus. J.Mol.Biol., 378, 2008
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1BUL
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![BU of 1bul by Molmil](/molmil-images/mine/1bul) | 6ALPHA-(HYDROXYPROPYL)PENICILLANATE ACYLATED ON NMC-A BETA-LACTAMASE FROM ENTEROBACTER CLOACAE | 分子名称: | 2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, NMC-A BETA-LACTAMASE | 著者 | Mourey, L, Swaren, P, Miyashita, K, Bulychev, A, Mobashery, S, Samama, J.P. | 登録日 | 1998-09-04 | 公開日 | 1998-12-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Inhibition of the Nmc-A B-Lactamase by a Penicillanic Acid Derivative, and the Structural Bases for the Increase in Substrate Profile of This Antibiotic Resistance Enzyme J.Am.Chem.Soc., 120, 1998
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8DZH
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![BU of 8dzh by Molmil](/molmil-images/mine/8dzh) | |
8DZI
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![BU of 8dzi by Molmil](/molmil-images/mine/8dzi) | |
8HTV
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![BU of 8htv by Molmil](/molmil-images/mine/8htv) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a | 分子名称: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase | 著者 | Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2022-12-21 | 公開日 | 2023-08-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group. J.Med.Chem., 66, 2023
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6VOV
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![BU of 6vov by Molmil](/molmil-images/mine/6vov) | Crystal structure of Syk in complex with GS-9876 | 分子名称: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine, Tyrosine-protein kinase SYK | 著者 | Lansdon, E.B. | 登録日 | 2020-01-31 | 公開日 | 2020-03-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. Acs Med.Chem.Lett., 11, 2020
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6O5I
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![BU of 6o5i by Molmil](/molmil-images/mine/6o5i) | Menin in complex with MI-3454 | 分子名称: | DIMETHYL SULFOXIDE, Menin, SULFATE ION, ... | 著者 | Linhares, B.M, Klossowski, S, Cierpicki, T, Grembecka, J. | 登録日 | 2019-03-03 | 公開日 | 2020-01-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.24025619 Å) | 主引用文献 | Menin inhibitor MI-3454 induces remission in MLL1-rearranged and NPM1-mutated models of leukemia. J.Clin.Invest., 130, 2020
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7MW4
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![BU of 7mw4 by Molmil](/molmil-images/mine/7mw4) | |
7MW6
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![BU of 7mw6 by Molmil](/molmil-images/mine/7mw6) | |