5J4Y
 
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5J47
 | | The X-ray structure of Inhibitor Bound to JCV Helicase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-phenoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, Large T antigen, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2016-03-31 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
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5J4V
 | | The crystal structure of Inhibitor Bound to JCV Helicase | | Descriptor: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2016-04-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
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1I09
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5J40
 | | The X-ray structure of JCV Helicase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2016-03-31 | | Release date: | 2016-07-20 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
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1C9L
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1C9I
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3N7R
 | | Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism | | Descriptor: | Calcitonin gene-related peptide type 1 receptor, N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2010-05-27 | | Release date: | 2010-09-15 | | Last modified: | 2022-10-26 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
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3N7P
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3N7S
 | | Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism | | Descriptor: | Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine, ... | | Authors: | Ter Haar, E. | | Deposit date: | 2010-05-27 | | Release date: | 2010-09-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
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3EMG
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3I4B
 | | Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor | | Descriptor: | Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | | Authors: | Ter Haar, E. | | Deposit date: | 2009-07-01 | | Release date: | 2010-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
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2OKR
 | | Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | Ter Haar, E. | | Deposit date: | 2007-01-17 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
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2ONL
 | | Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | Ter Haar, E. | | Deposit date: | 2007-01-24 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
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5E9Z
 | | Cytochrome P450 BM3 mutant M11 | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | | Deposit date: | 2015-10-15 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations.
Proteins, 84, 2016
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1KWP
 | | Crystal Structure of MAPKAP2 | | Descriptor: | MAP Kinase Activated Protein Kinase 2, MERCURY (II) ION | | Authors: | Meng, W, Swenson, L.L, Fitzgibbon, M.J, Hayakawa, K, ter Haar, E, Behrens, A.E, Fulghum, J.R, Lippke, J.A. | | Deposit date: | 2002-01-30 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Mitogen-activated Protein Kinase-activated Protein (MAPKAP) Kinase 2 Suggests a Bifunctional Switch That
Couples Kinase Activation with Nuclear Export
J.Biol.Chem., 277, 2002
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