5GNV
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![BU of 5gnv by Molmil](/molmil-images/mine/5gnv) | Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain | Descriptor: | Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION | Authors: | Shang, Y, Xia, Y, Zhu, R, Zhu, J. | Deposit date: | 2016-07-25 | Release date: | 2017-08-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain Biochem. J., 474, 2017
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5VLR
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![BU of 5vlr by Molmil](/molmil-images/mine/5vlr) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR | Descriptor: | 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Sack, J.S. | Deposit date: | 2017-04-26 | Release date: | 2017-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders. J. Med. Chem., 60, 2017
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3OCG
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![BU of 3ocg by Molmil](/molmil-images/mine/3ocg) | P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor | Descriptor: | 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-08-10 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | 5-Amino-pyrazoles as potent and selective p38α inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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7W0W
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![BU of 7w0w by Molmil](/molmil-images/mine/7w0w) | The novel membrane-proximal sensing mechanism in a broad-ligand binding chemoreceptor McpA of Bacillus velezensis | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Feng, H.C, Shen, Q.R, Zhang, R.F. | Deposit date: | 2021-11-18 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.247 Å) | Cite: | Signal binding at both modules of its dCache domain enables the McpA chemoreceptor of Bacillus velezensis to sense different ligands. Proc.Natl.Acad.Sci.USA, 119, 2022
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3HAD
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![BU of 3had by Molmil](/molmil-images/mine/3had) | |
2O8M
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![BU of 2o8m by Molmil](/molmil-images/mine/2o8m) | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | Descriptor: | Protease, SODIUM ION, ZINC ION | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | Deposit date: | 2006-12-12 | Release date: | 2007-10-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization J.Med.Chem., 50, 2007
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2QMK
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![BU of 2qmk by Molmil](/molmil-images/mine/2qmk) | Human pancreatic alpha-amylase complexed with nitrite | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ... | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | Deposit date: | 2007-07-16 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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3LRA
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![BU of 3lra by Molmil](/molmil-images/mine/3lra) | Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3 | Descriptor: | Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C | Authors: | Yang, X, Xie, X, Shen, Y, Long, J. | Deposit date: | 2010-02-10 | Release date: | 2010-11-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for tandem L27 domain-mediated polymerization Faseb J., 24, 2010
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5YBE
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![BU of 5ybe by Molmil](/molmil-images/mine/5ybe) | Structure of KANK1/KIF21A complex | Descriptor: | 1,2-ETHANEDIOL, KIF21A, Kank1 protein | Authors: | Weng, Z.F, Shang, Y, Yao, D.Q, Zhu, J.W, Zhang, R.G. | Deposit date: | 2017-09-04 | Release date: | 2017-11-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.111 Å) | Cite: | Structural analyses of key features in the KANK1/KIF21A complex yield mechanistic insights into the cross-talk between microtubules and the cell cortex. J. Biol. Chem., 293, 2018
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1YY6
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![BU of 1yy6 by Molmil](/molmil-images/mine/1yy6) | The Crystal Structure of the N-terminal domain of HAUSP/USP7 complexed with an EBNA1 peptide | Descriptor: | Epstein-Barr nuclear antigen-1, SODIUM ION, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Saridakis, V, Sheng, Y, Sarkari, F, Holowaty, M, Shire, K, Nguyen, T, Zhang, R, Liao, J, Lee, W, Edwards, A.M, Arrowsmith, C.H, Frappier, L. | Deposit date: | 2005-02-23 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the p53 binding domain of HAUSP/USP7 bound to Epstein-Barr nuclear antigen 1 implications for EBV-mediated immortalization. Mol.Cell, 18, 2005
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5ZYS
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![BU of 5zys by Molmil](/molmil-images/mine/5zys) | Structure of Nephrin/MAGI1 complex | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1, Nephrin | Authors: | Weng, Z.F, Shng, Y, Zhu, J.W, Zhang, R.G. | Deposit date: | 2018-05-28 | Release date: | 2019-01-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Basis of Highly Specific Interaction between Nephrin and MAGI1 in Slit Diaphragm Assembly and Signaling. J. Am. Soc. Nephrol., 29, 2018
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6A68
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![BU of 6a68 by Molmil](/molmil-images/mine/6a68) | the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain | Descriptor: | Calcium-dependent secretion activator 1, POTASSIUM ION | Authors: | Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C. | Deposit date: | 2018-06-26 | Release date: | 2019-03-13 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis. Cell Rep, 26, 2019
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6IM6
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![BU of 6im6 by Molmil](/molmil-images/mine/6im6) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMT
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![BU of 6imt by Molmil](/molmil-images/mine/6imt) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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8JHG
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![BU of 8jhg by Molmil](/molmil-images/mine/8jhg) | Native SUV420H1 bound to 167-bp nucleosome | Descriptor: | DNA (160-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Lin, F, Li, W. | Deposit date: | 2023-05-23 | Release date: | 2023-11-22 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase. Cell Discov, 9, 2023
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8JHF
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![BU of 8jhf by Molmil](/molmil-images/mine/8jhf) | Native SUV420H1 bound to 167-bp nucleosome | Descriptor: | DNA (160-MER), Histone H2A.Z, Histone H2B type 1-K, ... | Authors: | Lin, F, Li, W. | Deposit date: | 2023-05-23 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Structural basis of nucleosomal H4K20 recognition and methylation by SUV420H1 methyltransferase. Cell Discov, 9, 2023
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8OU0
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![BU of 8ou0 by Molmil](/molmil-images/mine/8ou0) | |
6IND
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![BU of 6ind by Molmil](/molmil-images/mine/6ind) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-24 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6INM
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![BU of 6inm by Molmil](/molmil-images/mine/6inm) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-26 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMR
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![BU of 6imr by Molmil](/molmil-images/mine/6imr) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6INK
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![BU of 6ink by Molmil](/molmil-images/mine/6ink) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-25 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMO
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![BU of 6imo by Molmil](/molmil-images/mine/6imo) | Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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1L8R
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![BU of 1l8r by Molmil](/molmil-images/mine/1l8r) | Structure of the Retinal Determination Protein Dachshund Reveals a DNA-Binding Motif | Descriptor: | Dachshund | Authors: | Kim, S.S, Zhang, R, Braunstein, S.E, Joachimiak, A, Cvekl, A, Hegde, R.S. | Deposit date: | 2002-03-21 | Release date: | 2002-06-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of the retinal determination protein Dachshund reveals a DNA binding motif. Structure, 10, 2002
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2BBH
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![BU of 2bbh by Molmil](/molmil-images/mine/2bbh) | X-ray structure of T.maritima CorA soluble domain | Descriptor: | DECYL-BETA-D-MALTOPYRANOSIDE, MAGNESIUM ION, SODIUM ION, ... | Authors: | Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-17 | Release date: | 2005-12-13 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the CorA Mg2+ transporter. Nature, 440, 2006
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2ERF
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![BU of 2erf by Molmil](/molmil-images/mine/2erf) | |