6W4G
 
 | | Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies | | Descriptor: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile, NS5B | | Authors: | Harris, S.F. | | Deposit date: | 2020-03-10 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of Noncompetitive Protein-Ligand Interactions for Structural Optimization.
J.Chem.Inf.Model., 60, 2020
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4JY0
 | | Crystal structure of hcv ns5b polymerase in complex with compound 3 | | Descriptor: | (4S,5R)-1-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-4-pyrazin-2-yl-5-(1,3-thiazol-2-yl)-L-proline, Genome polyprotein | | Authors: | Coulombe, R. | | Deposit date: | 2013-03-28 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Distinguishing drug binding pockets on proteins by complementary biophysical and biological methods.
To be Published
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3DU6
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8OR0
 | | CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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4MK2
 | | 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile bound to influenza 2009 pH1N1 endonuclease | | Descriptor: | 1,2-ETHANEDIOL, 3-(5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzonitrile, MANGANESE (II) ION, ... | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2013-09-04 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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3DU5
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4WRQ
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5TXO
 | | STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | | Authors: | Das, K, Martinez, S.M, Arnold, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.546 Å) | | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
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4S0H
 | | TBX5 DB, NKX2.5 HD, ANF DNA Complex | | Descriptor: | 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ... | | Authors: | Pradhan, L. | | Deposit date: | 2014-12-31 | | Release date: | 2015-12-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.817 Å) | | Cite: | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
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5FGO
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5TXP
 | | STRUCTURE OF Q151M complex (A62V, V75I, F77L, F116Y, Q151M) mutant HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP | | Descriptor: | 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ... | | Authors: | Das, K, Martinez, S.M, Arnold, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
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8I53
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5FGP
 | | Crystal structure of D. melanogaster Pur-alpha repeat I-II in complex with DNA. | | Descriptor: | CG1507-PB, isoform B, CHLORIDE ION, ... | | Authors: | Weber, J, Janowski, R, Niessing, D. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha.
Elife, 5, 2016
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2BAL
 | | p38alpha MAP kinase bound to pyrazoloamine | | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
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2BAK
 | | p38alpha MAP kinase bound to MPAQ | | Descriptor: | Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | | Authors: | Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2BAJ
 | | p38alpha bound to pyrazolourea | | Descriptor: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14 | | Authors: | Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
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2BAQ
 | | p38alpha bound to Ro3201195 | | Descriptor: | Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | | Authors: | Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A. | | Deposit date: | 2005-10-14 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
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4M5V
 | | Influenza 2009 H1N1 endonuclease with 100 millimolar calcium | | Descriptor: | CALCIUM ION, Polymerase PA, SULFATE ION | | Authors: | Bauman, J.D, Patel, D, Das, K, Arnold, E. | | Deposit date: | 2013-08-08 | | Release date: | 2013-09-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
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3GQE
 | | Crystal structure of macro domain of Venezuelan Equine Encephalitis virus | | Descriptor: | BICINE, Non-structural protein 3 | | Authors: | Jamal, S, Malet, H, Coutard, B, Canard, B. | | Deposit date: | 2009-03-24 | | Release date: | 2009-07-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
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1P5O
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7VRC
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7SN8
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1P5P
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8QXA
 | | TDP-43 amyloid fibrils: Morphology-1b | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
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8QX9
 | | TDP-43 amyloid fibrils: Morphology-1a | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Sharma, K, Shenoy, J, Loquet, A, Schmidt, M, Faendrich, M. | | Deposit date: | 2023-10-24 | | Release date: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Cryo-EM observation of the amyloid key structure of polymorphic TDP-43 amyloid fibrils.
Nat Commun, 15, 2024
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