5TUY
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![BU of 5tuy by Molmil](/molmil-images/mine/5tuy) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124 | Descriptor: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TUZ
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![BU of 5tuz by Molmil](/molmil-images/mine/5tuz) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124 | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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2DDY
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![BU of 2ddy by Molmil](/molmil-images/mine/2ddy) | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | Descriptor: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | Authors: | Zheng, X.H, Ou, L. | Deposit date: | 2006-02-06 | Release date: | 2007-02-06 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor to be published
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6LJ9
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![BU of 6lj9 by Molmil](/molmil-images/mine/6lj9) | |
6LJB
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![BU of 6ljb by Molmil](/molmil-images/mine/6ljb) | |
1VFQ
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![BU of 1vfq by Molmil](/molmil-images/mine/1vfq) | |
6JBT
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![BU of 6jbt by Molmil](/molmil-images/mine/6jbt) | Complex structure of toripalimab-Fab and PD-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ... | Authors: | Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J. | Deposit date: | 2019-01-26 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy. Mabs, 11, 2019
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3I6G
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![BU of 3i6g by Molmil](/molmil-images/mine/3i6g) | Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Liu, J. | Deposit date: | 2009-07-07 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes. J.INFECT.DIS., 202, 2010
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1DNV
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![BU of 1dnv by Molmil](/molmil-images/mine/1dnv) | PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA | Descriptor: | GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN | Authors: | Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G. | Deposit date: | 1998-07-22 | Release date: | 1999-02-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution. Structure, 6, 1998
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4DPV
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![BU of 4dpv by Molmil](/molmil-images/mine/4dpv) | PARVOVIRUS/DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN) | Authors: | Chapman, M.S, Rossmann, M.G. | Deposit date: | 1996-02-01 | Release date: | 1997-04-01 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Canine parvovirus capsid structure, analyzed at 2.9 A resolution. J.Mol.Biol., 264, 1996
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4EJN
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![BU of 4ejn by Molmil](/molmil-images/mine/4ejn) | Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ... | Authors: | Eathiraj, S. | Deposit date: | 2012-04-06 | Release date: | 2012-05-23 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. J.Med.Chem., 55, 2012
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4D2K
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![BU of 4d2k by Molmil](/molmil-images/mine/4d2k) | |
5HVW
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![BU of 5hvw by Molmil](/molmil-images/mine/5hvw) | Monomeric IgG4 Fc | Descriptor: | GLYCEROL, Ig gamma-4 chain C region, ZINC ION, ... | Authors: | Oganesyan, V.Y, Shan, L, Dall'Acqua, W.F. | Deposit date: | 2016-01-28 | Release date: | 2016-08-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Generation and Characterization of an IgG4 Monomeric Fc Platform. Plos One, 11, 2016
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2POI
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![BU of 2poi by Molmil](/molmil-images/mine/2poi) | Crystal structure of XIAP BIR1 domain (I222 form) | Descriptor: | Baculoviral IAP repeat-containing protein 4, ZINC ION | Authors: | Lin, S. | Deposit date: | 2007-04-26 | Release date: | 2007-07-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization. Mol.Cell, 26, 2007
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2POM
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![BU of 2pom by Molmil](/molmil-images/mine/2pom) | TAB1 with manganese ion | Descriptor: | MANGANESE (II) ION, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1 | Authors: | Lin, S.C. | Deposit date: | 2007-04-26 | Release date: | 2007-07-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization. Mol.Cell, 26, 2007
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5IN1
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![BU of 5in1 by Molmil](/molmil-images/mine/5in1) | Crystal Structure of the MRG701 chromodomain | Descriptor: | 1,2-ETHANEDIOL, MRG701, SULFATE ION | Authors: | Huang, Y, Liu, Y. | Deposit date: | 2016-03-07 | Release date: | 2017-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural studies on MRG701 chromodomain reveal a novel dimerization interface of MRG proteins in green plants Protein Cell, 7, 2016
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6ECQ
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![BU of 6ecq by Molmil](/molmil-images/mine/6ecq) | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899 | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2018-08-08 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
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3BV2
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![BU of 3bv2 by Molmil](/molmil-images/mine/3bv2) | Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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3BV3
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![BU of 3bv3 by Molmil](/molmil-images/mine/3bv3) | Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2 | Descriptor: | 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2008-01-04 | Release date: | 2008-04-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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6ECR
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![BU of 6ecr by Molmil](/molmil-images/mine/6ecr) | |
6ECP
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![BU of 6ecp by Molmil](/molmil-images/mine/6ecp) | The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 | Descriptor: | Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2018-08-08 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
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2QRA
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![BU of 2qra by Molmil](/molmil-images/mine/2qra) | Crystal structure of XIAP BIR1 domain (P21 form) | Descriptor: | Baculoviral IAP repeat-containing protein 4, ETHANOL, ZINC ION | Authors: | Lin, S.-C. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the BIR1 domain of XIAP in two crystal forms J.Mol.Biol., 372, 2007
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2POP
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![BU of 2pop by Molmil](/molmil-images/mine/2pop) | The Crystal Structure of TAB1 and BIR1 complex | Descriptor: | Baculoviral IAP repeat-containing protein 4, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1, ZINC ION | Authors: | Lin, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization. Mol.Cell, 26, 2007
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5J87
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4ZN2
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![BU of 4zn2 by Molmil](/molmil-images/mine/4zn2) | Glycosyl hydrolase from Pseudomonas aeruginosa | Descriptor: | PslG | Authors: | Su, T, Liu, S, Gu, L. | Deposit date: | 2015-05-04 | Release date: | 2016-01-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PslG, a self-produced glycosyl hydrolase, triggers biofilm disassembly by disrupting exopolysaccharide matrix Cell Res., 25, 2015
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