6E04
 
 | | sperm whale myoglobin 1-nitrosopropane | | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Herrera, V.E. | | Deposit date: | 2018-07-06 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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1B6T
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6FR2
 | | Soluble epoxide hydrolase in complex with LK864 | | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | | Deposit date: | 2018-02-15 | | Release date: | 2018-09-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
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1XXF
 | | Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP) | | Descriptor: | Coagulation factor XI, Ecotin, SODIUM ION | | Authors: | Jin, L, Pandey, P, Babine, R.E, Gorga, J.C, Seidl, K.J, Gelfand, E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | | Deposit date: | 2004-11-04 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the FXIa Catalytic Domain in Complex with Ecotin Mutants Reveal Substrate-like Interactions
J.Biol.Chem., 280, 2005
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3DDX
 | | HK97 bacteriophage capsid Expansion Intermediate-II model | | Descriptor: | Major capsid protein | | Authors: | Lee, K.K, Gan, L, Conway, J.F, Hendrix, R.W, Steven, A.C, Johnson, J.E. | | Deposit date: | 2008-06-06 | | Release date: | 2008-11-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY | | Cite: | Virus capsid expansion driven by the capture of mobile surface loops.
Structure, 16, 2008
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6GNH
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-30 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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1RPI
 | | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | | Descriptor: | alpha-D-glucopyranose, protease | | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | | Deposit date: | 2003-12-03 | | Release date: | 2004-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
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6HHX
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine | | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6HHV
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine | | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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6GNS
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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6HHW
 | | Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine | | Descriptor: | 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase | | Authors: | De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D. | | Deposit date: | 2018-08-29 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
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1UT6
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2003-12-04 | | Release date: | 2005-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge.
J.Med.Chem., 49, 2006
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1BTQ
 | | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | | Descriptor: | BAND 3 ANION TRANSPORT PROTEIN | | Authors: | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | | Deposit date: | 1994-08-03 | | Release date: | 1994-11-30 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structures of the first and second transmembrane-spanning segments of band 3.
Eur.J.Biochem., 221, 1994
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4QJI
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1BTT
 | | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | | Descriptor: | BAND 3 ANION TRANSPORT PROTEIN | | Authors: | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | | Deposit date: | 1994-08-03 | | Release date: | 1994-12-20 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structures of the first and second transmembrane-spanning segments of band 3.
Eur.J.Biochem., 221, 1994
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1BTR
 | | THE SOLUTION STRUCTURES OF THE FIRST AND SECOND TRANSMEMBRANE-SPANNING SEGMENTS OF BAND 3 | | Descriptor: | BAND 3 ANION TRANSPORT PROTEIN | | Authors: | Gargaro, A.R, Bloomberg, G.B, Dempsey, C.E, Murray, M, Tanner, M.J.A. | | Deposit date: | 1993-05-25 | | Release date: | 1994-12-20 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | The solution structures of the first and second transmembrane-spanning segments of band 3.
Eur.J.Biochem., 221, 1994
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2QYT
 | | Crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83 | | Descriptor: | 1,2-ETHANEDIOL, 2-dehydropantoate 2-reductase, SULFATE ION | | Authors: | Tan, K, Wu, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-08-15 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The crystal structure of 2-dehydropantoate 2-reductase from Porphyromonas gingivalis W83.
To be Published
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3FPD
 | | G9a-like protein lysine methyltransferase inhibition by BIX-01294 | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine, ... | | Authors: | Chang, Y, Zhang, X, Horton, J.R, Cheng, X. | | Deposit date: | 2009-01-05 | | Release date: | 2009-02-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for G9a-like protein lysine methyltransferase inhibition by BIX-01294.
Nat.Struct.Mol.Biol., 16, 2009
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3HEM
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2R8I
 | | Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), ... | | Authors: | Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P. | | Deposit date: | 2007-09-10 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
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2R8H
 | | Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), ... | | Authors: | Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P. | | Deposit date: | 2007-09-10 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
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2RFH
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2R8G
 | | Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DT)-3', 5'-D(*DTP*DCP*DAP*DCP*(P)P*DGP*DAP*DAP*DAP*DTP*DCP*DCP*DTP*DTP*DCP*DCP*DCP*DCP*DC)-3', ... | | Authors: | Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P. | | Deposit date: | 2007-09-10 | | Release date: | 2008-07-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV
Biochemistry, 47, 2008
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2NPA
 | | the crystal structure of the human PPARaplpha ligand binding domain in complex with a a-hydroxyimino phenylpropanoic acid | | Descriptor: | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]BENZYL}-3-(PROPOXYIMINO)BUTANOIC ACID, Peroxisome proliferator-activated receptor alpha, SRC- peptide from Nuclear receptor coactivator 1 | | Authors: | Kim, K.H, Chung, H.K, Han, H.O, Kim, S.H, Koh, J.S, Kim, G.T. | | Deposit date: | 2006-10-26 | | Release date: | 2007-10-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of oxime ethers of alpha-acyl-beta-phenylpropanoic acids as PPAR dual agonists
Bioorg.Med.Chem.Lett., 17, 2007
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4Y9S
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