1JLO
 
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3DV5
 | | Crystal structure of human beta-secretase in complex with NVP-BAV544 | | Descriptor: | (3S,14R,16S)-16-[(1R)-1-hydroxy-2-{[3-(1-methylethyl)benzyl]amino}ethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5- dione, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2008-07-18 | | Release date: | 2009-02-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors with activity in vivo.
Bioorg.Med.Chem.Lett., 19, 2009
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1AV3
 | | POTASSIUM CHANNEL BLOCKER KAPPA CONOTOXIN PVIIA FROM C. PURPURASCENS, NMR, 20 STRUCTURES | | Descriptor: | Kappa-conotoxin PVIIA | | Authors: | Scanlon, M.J, Naranjo, D, Thomas, L, Alewood, P.F, Lewis, R.J, Craik, D.J. | | Deposit date: | 1997-09-24 | | Release date: | 1998-10-14 | | Last modified: | 2020-12-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure and proposed binding mechanism of a novel potassium channel toxin kappa-conotoxin PVIIA.
Structure, 5, 1997
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1CEL
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4OBP
 | | MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2014-01-07 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
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2Z8V
 | | Structure of an IgNAR-AMA1 complex | | Descriptor: | Apical membrane antigen 1, New antigen receptor variable domain | | Authors: | Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D. | | Deposit date: | 2007-09-11 | | Release date: | 2007-11-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition
Structure, 15, 2007
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2Z8W
 | | Structure of an IgNAR-AMA1 complex | | Descriptor: | Apical membrane antigen 1, New antigen receptor variable domain | | Authors: | Streltsov, V.A, Henderson, K.A, Batchelor, A.H, Coley, A.M, Nuttall, S.D. | | Deposit date: | 2007-09-11 | | Release date: | 2007-11-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of an IgNAR-AMA1 Complex: Targeting a Conserved Hydrophobic Cleft Broadens Malarial Strain Recognition
Structure, 15, 2007
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5DS3
 | | Crystal structure of constitutively active PARP-1 | | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, PENTAETHYLENE GLYCOL, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2015-09-16 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
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5DSY
 | | Crystal structure of constitutively active PARP-2 | | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 2 | | Authors: | Riccio, A.A, Pascal, J.M. | | Deposit date: | 2015-09-17 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | PARP-1 Activation Requires Local Unfolding of an Autoinhibitory Domain.
Mol.Cell, 60, 2015
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6T7F
 | | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | | Authors: | Mabbitt, P.D, Virdee, S. | | Deposit date: | 2019-10-21 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
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6TCY
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3TCP
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569 | | Descriptor: | 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Liu, J, Yang, C, Simpson, C, DeRyckere, D, Van Deusen, A, Miley, M, Kireev, D.B, Norris-Drouin, J, Sather, S, Hunter, D, Patel, H.S, Janzen, W.P, Machius, M, Johnson, G, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | | Deposit date: | 2011-08-09 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
ACS Med Chem Lett, 3, 2012
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1JN7
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3P74
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3P82
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3P80
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3P81
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3P7Y
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4F2J
 | | Crystal structure of ZNF217 bound to DNA, P6522 crystal form | | Descriptor: | 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', ZINC ION, Zinc finger protein 217 | | Authors: | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | | Deposit date: | 2012-05-08 | | Release date: | 2013-02-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217
J.Biol.Chem., 288, 2013
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4G3E
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4G3D
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4G3C
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2WHO
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4G3G
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4G3F
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