4K1B
 
 | | Structure of PIM-1 kinase bound to N-(5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-((((3R,4R)-3-fluoropiperidin-4-yl)methyl)amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Descriptor: | N-[5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-({[(3R,4R)-3-fluoropiperidin-4-yl]methyl}amino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.082 Å) | | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4LLF
 | | Crystal structure of Cucumber Necrosis Virus | | Descriptor: | CALCIUM ION, Capsid protein, ZINC ION | | Authors: | Smith, T. | | Deposit date: | 2013-07-09 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8891 Å) | | Cite: | Atomic structure of cucumber necrosis virus and the role of the capsid in vector transmission.
J.Virol., 87, 2013
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7JUP
 | | Structure of human TRPA1 in complex with antagonist compound 21 | | Descriptor: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | | Authors: | Rohou, A, Rouge, L. | | Deposit date: | 2020-08-20 | | Release date: | 2021-03-31 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy.
J.Med.Chem., 64, 2021
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4KNV
 | | The crystal structure of APO HUMAN HDHD4 FROM SE-MAD | | Descriptor: | MAGNESIUM ION, N-acylneuraminate-9-phosphatase, PHOSPHATE ION | | Authors: | Klei, H.E. | | Deposit date: | 2013-05-10 | | Release date: | 2013-06-26 | | Last modified: | 2013-07-10 | | Method: | X-RAY DIFFRACTION (1.993 Å) | | Cite: | Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: Observation of extensive dynamics in an enzyme/inhibitor complex.
Bioorg.Med.Chem.Lett., 23, 2013
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4K18
 | | Structure of PIM-1 kinase bound to 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide | | Descriptor: | 5-(4-cyanobenzyl)-N-(4-fluorophenyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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4K0Y
 | | Structure of PIM-1 kinase bound to N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | | Descriptor: | N-(4-fluorophenyl)-7-hydroxy-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 | | Authors: | Murray, J.M, Wallweber, H, Steffek, M. | | Deposit date: | 2013-04-04 | | Release date: | 2013-05-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.
Bioorg.Med.Chem.Lett., 23, 2013
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3NWV
 | | Human cytochrome c G41S | | Descriptor: | Cytochrome c, HEME C | | Authors: | Fagerlund, R.D, Wilbanks, S.M. | | Deposit date: | 2010-07-11 | | Release date: | 2011-03-09 | | Last modified: | 2019-10-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Proapoptotic G41S Mutation to Human Cytochrome c Alters the Heme Electronic Structure and Increases the Electron Self-Exchange Rate.
J.Am.Chem.Soc., 133, 2011
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5EV1
 | | Structure I of Intact U2AF65 Recognizing a 3' Splice Site Signal | | Descriptor: | DI(HYDROXYETHYL)ETHER, DNA/RNA (5'-R(*UP*UP*U)-D(P*UP*UP*(BRU)P*U)-R(P*UP*U)-3'), SODIUM ION, ... | | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2015-11-19 | | Release date: | 2016-02-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.037 Å) | | Cite: | An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
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5EV2
 | | Structure II of Intact U2AF65 Recognizing the 3' Splice Site Signal | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, DI(HYDROXYETHYL)ETHER, DNA (5'-R(P*UP*U)-D(P*UP*U)-R(P*U)-D(P*UP*(BRU)P*U)-3'), ... | | Authors: | Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. | | Deposit date: | 2015-11-19 | | Release date: | 2016-02-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | An extended U2AF(65)-RNA-binding domain recognizes the 3' splice site signal.
Nat Commun, 7, 2016
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5EV3
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5EV4
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3NBP
 | | HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | | Descriptor: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Harris, S.F, Villasenor, A.G. | | Deposit date: | 2010-06-03 | | Release date: | 2010-08-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
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2RDO
 | | 50S subunit with EF-G(GDPNP) and RRF bound | | Descriptor: | 23S RIBOSOMAL RNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ... | | Authors: | Gao, N, Zavialov, A.V, Ehrenberg, M, Frank, J. | | Deposit date: | 2007-09-24 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (9.1 Å) | | Cite: | Specific interaction between EF-G and RRF and its implication for GTP-dependent ribosome splitting into subunits.
J.Mol.Biol., 374, 2007
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3NZ0
 | | Non-phosphorylated TYK2 kinase with CMP6 | | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2010-07-15 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A new regulatory switch in a JAK protein kinase.
Proteins, 79, 2011
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1IKX
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2PMW
 | | The Crystal Structure of Proprotein convertase subtilisin kexin type 9 (PCSK9) | | Descriptor: | Proprotein convertase subtilisin/kexin type 9, SULFATE ION | | Authors: | Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C. | | Deposit date: | 2007-04-23 | | Release date: | 2007-05-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of PCSK9: A Regulator of Plasma LDL-Cholesterol.
Structure, 15, 2007
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3DRT
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, GLYCEROL, ... | | Authors: | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | | Deposit date: | 2008-07-11 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
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1IKY
 | | HIV-1 Reverse Transcriptase in Complex with the Inhibitor MSC194 | | Descriptor: | 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA, POL POLYPROTEIN | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2001-05-07 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
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1IKW
 | | Wild Type HIV-1 Reverse Transcriptase in Complex with Efavirenz | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2001-05-07 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
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3NYX
 | | Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Eigenbrot, C, Ultsch, M. | | Deposit date: | 2010-07-15 | | Release date: | 2010-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A new regulatory switch in a JAK protein kinase.
Proteins, 79, 2011
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3EGS
 | | Crystal structure of the HIV-1 broadly neutralizing antibody 2F5 in complex with the gp41 scrambledFP-MPER scrHyb3K construct GIGAFGLLGFLAAGSKK-Ahx-K656NEQELLELDKWASLWN671 soaked in ammonium sulfate | | Descriptor: | 2F5 Fab' heavy chain, 2F5 Fab' light chain, gp41 scrFP-MPER construct | | Authors: | Julien, J.-P, Bryson, S, de la Torre, B.G, Andreu, D, Nieva, J.L, Pai, E.F. | | Deposit date: | 2008-09-11 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5.
J.Phys.Chem.B, 113, 2009
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1IKV
 | | K103N Mutant HIV-1 Reverse Transcriptase in Complex with Efivarenz | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, POL POLYPROTEIN | | Authors: | Lindberg, J, Unge, T. | | Deposit date: | 2001-05-07 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis for the inhibitory efficacy of efavirenz (DMP-266), MSC194 and PNU142721 towards the HIV-1 RT K103N mutant.
Eur.J.Biochem., 269, 2002
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4NXO
 | | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2013-12-09 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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4PUB
 | | Crystal structure of Fab DX-2930 | | Descriptor: | CHLORIDE ION, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN | | Authors: | Abendroth, J, Edwards, T.E, Nixon, A, Ladner, R. | | Deposit date: | 2014-03-12 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
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4OGX
 | | Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution | | Descriptor: | DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ... | | Authors: | Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R. | | Deposit date: | 2014-01-16 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
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