8HUU
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![BU of 8huu by Molmil](/molmil-images/mine/8huu) | Crystal structure of HCoV-NL63 main protease with S217622 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | Authors: | Zeng, X.Y, Zhang, J, Li, J. | Deposit date: | 2022-12-24 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural basis for the inhibition of coronaviral main proteases by ensitrelvir. Structure, 31, 2023
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8IQC
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8IQI
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![BU of 8iqi by Molmil](/molmil-images/mine/8iqi) | Structure of Full-Length AsfvPrimPol in Complex-Form | Descriptor: | DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Shao, Z.W, Su, S.C, Gan, J.H. | Deposit date: | 2023-03-16 | Release date: | 2023-07-26 | Last modified: | 2023-11-29 | Method: | ELECTRON MICROSCOPY (3.32 Å) | Cite: | Structures and implications of the C962R protein of African swine fever virus. Nucleic Acids Res., 51, 2023
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3C59
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8IQD
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8IQH
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8IQB
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8I7X
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![BU of 8i7x by Molmil](/molmil-images/mine/8i7x) | Crystal structure of human ClpP in complex with ZG36 | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | Deposit date: | 2023-02-02 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists. Eur.J.Med.Chem., 258, 2023
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4KMY
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![BU of 4kmy by Molmil](/molmil-images/mine/4kmy) | Human folate receptor beta (FOLR2) at neutral pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Folate receptor beta, POTASSIUM ION | Authors: | Wibowo, A.S, Dann III, C.E. | Deposit date: | 2013-05-08 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.795 Å) | Cite: | Structures of human folate receptors reveal biological trafficking states and diversity in folate and antifolate recognition. Proc.Natl.Acad.Sci.USA, 110, 2013
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3BWM
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![BU of 3bwm by Molmil](/molmil-images/mine/3bwm) | Crystal Structure of Human Catechol O-Methyltransferase with bound SAM and DNC | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Rutherford, K, Le Trong, I, Stenkamp, R.E, Parson, W.W. | Deposit date: | 2008-01-09 | Release date: | 2008-06-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of human 108V and 108M catechol O-methyltransferase. J.Mol.Biol., 380, 2008
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7FEW
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7FF0
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1RO6
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![BU of 1ro6 by Molmil](/molmil-images/mine/1ro6) | Crystal structure of PDE4B2B complexed with Rolipram (R & S) | Descriptor: | ARSENIC, MANGANESE (II) ION, ROLIPRAM, ... | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | Deposit date: | 2003-12-01 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram. J.Mol.Biol., 337, 2004
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2CE2
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![BU of 2ce2 by Molmil](/molmil-images/mine/2ce2) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GDP | Descriptor: | GTPASE HRAS, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Klink, B.U, Goody, R.S, Scheidig, A.J. | Deposit date: | 2006-02-02 | Release date: | 2006-08-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J., 91, 2006
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2XE3
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![BU of 2xe3 by Molmil](/molmil-images/mine/2xe3) | OmpC28 | Descriptor: | OUTER MEMBRANE PORIN C, octyl beta-D-glucopyranoside | Authors: | Lou, H, Naismith, J.H. | Deposit date: | 2010-05-10 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Altered Antibiotic Transport in Ompc Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. Coli. Plos One, 6, 2011
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2CI4
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![BU of 2ci4 by Molmil](/molmil-images/mine/2ci4) | Crystal Structure of Dimethylarginine dimethylaminohydrolase I crystal form II | Descriptor: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors. Structure, 14, 2006
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1UY7
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![BU of 1uy7 by Molmil](/molmil-images/mine/1uy7) | Human Hsp90-alpha with 9-Butyl-8-(4-methoxy-benzyl)-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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7F6G
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![BU of 7f6g by Molmil](/molmil-images/mine/7f6g) | Cryo-EM structure of human angiotensin receptor AT1R in complex Gq proteins and Sar1-AngII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin receptor AT1R, CHOLESTEROL, ... | Authors: | Zhang, D, Xu, L, Zhan, Y, Guo, J, Zhang, H. | Deposit date: | 2021-06-25 | Release date: | 2023-03-29 | Last modified: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural insights into angiotensin receptor signaling modulation by balanced and biased agonists. Embo J., 42, 2023
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2CI3
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![BU of 2ci3 by Molmil](/molmil-images/mine/2ci3) | Crystal Structure of Dimethylarginine dimethylaminohydrolase crystal form I | Descriptor: | NG, NG-DIMETHYLARGININE DIMETHYLAMINOHYDROLASE 1 | Authors: | Frey, D, Braun, O, Briand, C, Vasak, M, Grutter, M.G. | Deposit date: | 2006-03-17 | Release date: | 2006-05-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors. Structure, 14, 2006
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3BYM
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![BU of 3bym by Molmil](/molmil-images/mine/3bym) | X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck | Descriptor: | N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2008-01-16 | Release date: | 2008-09-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity. J.Med.Chem., 51, 2008
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3BYZ
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![BU of 3byz by Molmil](/molmil-images/mine/3byz) | 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors | Descriptor: | (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zhang, J, Jordan, S.R, Li, V. | Deposit date: | 2008-01-16 | Release date: | 2008-02-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | 2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice. J.Med.Chem., 51, 2008
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1UYC
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![BU of 1uyc by Molmil](/molmil-images/mine/1uyc) | Human Hsp90-alpha with 9-Butyl-8-(2,5-dimethoxy-benzyl)-9H-purin-6-ylamine | Descriptor: | 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Wright, L, Barril, X, Dymock, B, Sheridan, L, Surgenor, A, Beswick, M, Drysdale, M, Collier, A, Massey, A, Davies, N, Fink, A, Fromont, C, Aherne, W, Boxall, K, Sharp, S, Workman, P, Hubbard, R.E. | Deposit date: | 2004-03-02 | Release date: | 2004-07-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms Chem.Biol., 11, 2004
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2CHX
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![BU of 2chx by Molmil](/molmil-images/mine/2chx) | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-90 | Descriptor: | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | Deposit date: | 2006-03-16 | Release date: | 2006-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling Cell(Cambridge,Mass.), 125, 2006
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3BMO
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![BU of 3bmo by Molmil](/molmil-images/mine/3bmo) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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6WTJ
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![BU of 6wtj by Molmil](/molmil-images/mine/6wtj) | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | Deposit date: | 2020-05-02 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication. Nat Commun, 11, 2020
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