5T2D
 
 | | mPI3Kd IN COMPLEX WITH 7j | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2M
 | | mPI3Kd IN COMPLEX WITH 7m | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5T2G
 | | mPI3Kd IN COMPLEX WITH 7i | | Descriptor: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | | Deposit date: | 2016-08-23 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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1JWB
 | | Structure of the Covalent Acyl-Adenylate Form of the MoeB-MoaD Protein Complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, MOLYBDOPTERIN BIOSYNTHESIS MOEB PROTEIN, MOLYBDOPTERIN [MPT] CONVERTING FACTOR, ... | | Authors: | Lake, M.W, Wuebbens, M.M, Rajagopalan, K.V, Schindelin, H. | | Deposit date: | 2001-09-03 | | Release date: | 2001-11-21 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanism of ubiquitin activation revealed by the structure of a bacterial MoeB-MoaD complex.
Nature, 414, 2001
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2NQV
 | | MoeA D228A | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nciolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQS
 | | MoeA E188A | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQN
 | | MoeA T100W | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQR
 | | MoeA D142N | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQU
 | | MoeA E188Q | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQQ
 | | MoeA R137Q | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2LBA
 | | Solution structure of chicken ileal BABP in complex with glycochenodeoxycholic acid | | Descriptor: | BABP protein, GLYCOCHENODEOXYCHOLIC ACID | | Authors: | Zanzoni, S, Assfalg, M, Giorgetti, A, D'Onofrio, M, Molinari, H. | | Deposit date: | 2011-03-28 | | Release date: | 2011-09-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Requirements for Cooperativity in Ileal Bile Acid-binding Proteins.
J.Biol.Chem., 286, 2011
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2JN3
 | | NMR structure of cl-BABP complexed to chenodeoxycholic acid | | Descriptor: | CHENODEOXYCHOLIC ACID, Fatty acid-binding protein, liver | | Authors: | Eliseo, T, Ragona, L, Catalano, M, Assfalf, M, Paci, M, Zetta, L, Molinari, H, Cicero, D.O. | | Deposit date: | 2006-12-22 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structural and dynamic determinants of ligand binding in the ternary complex of chicken liver bile acid binding protein with two bile salts revealed by NMR
Biochemistry, 46, 2007
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2K62
 | | NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate | | Descriptor: | (3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid, Liver fatty acid-binding protein, YTTERBIUM (III) ION | | Authors: | Tomaselli, S, Zanzoni, S, Ragona, L, Gianolio, E, Aime, S, Assfalg, M, Molinari, H. | | Deposit date: | 2008-07-03 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based gadolinium(III)-chelate, a potential hepatospecific magnetic resonance imaging contrast agent.
J.Med.Chem., 51, 2008
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2NAY
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2NQK
 | | MoeA D59N mutant | | Descriptor: | Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NQM
 | | MoeA T100A mutant | | Descriptor: | Molybdopterin biosynthesis protein moeA | | Authors: | Nicoas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2O7I
 | | The X-ray crystal structure of a thermophilic cellobiose binding protein bound with cellobiose | | Descriptor: | Oligopeptide ABC transporter, periplasmic oligopeptide-binding protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Cuneo, M.J, Hellinga, H.W. | | Deposit date: | 2006-12-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold.
J.Biol.Chem., 284, 2009
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2NRS
 | | MoeA S371W | | Descriptor: | Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-11-02 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NRP
 | | MoeA R350A | | Descriptor: | GLYCEROL, Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-11-02 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2NRO
 | | MoeA K279Q | | Descriptor: | Molybdopterin biosynthesis protein moeA | | Authors: | Nicolas, J, Xiang, S, Schindelin, H, Rajagopalan, K.V. | | Deposit date: | 2006-11-02 | | Release date: | 2007-01-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutational Analysis of Escherichia coli MoeA: Two Functional Activities Map to the Active Site Cleft.
Biochemistry, 46, 2007
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2KCN
 | | Solution structure of the antifungal protein PAF from Penicillium chrysogenum | | Descriptor: | Antifungal protein | | Authors: | Batta, G, Barna, T, Gaspari, Z, Sandor, S, Kover, K.E, Binder, U, Sarg, B, Kaiserer, L, Chhillar, A.K, Eigentler, A, Leiter, E, Hegedus, N, Pocsi, I, Lindner, H, Marx, F. | | Deposit date: | 2008-12-23 | | Release date: | 2009-07-21 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Functional aspects of the solution structure and dynamics of PAF--a highly-stable antifungal protein from Penicillium chrysogenum
Febs J., 276, 2009
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2LFO
 | | NMR structure of cl-BABP/SS complexed with glycochenodeoxycholic and glycocholic acids | | Descriptor: | Fatty acid-binding protein, liver, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Tomaselli, S, Cogliati, C, Pagano, K, Zetta, L, Zanzoni, S, Assfalg, M, Molinari, H, Ragona, L. | | Deposit date: | 2011-07-07 | | Release date: | 2012-07-11 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | A disulfide bridge allows for site-selective binding in liver bile acid binding protein thereby stabilising the orientation of key amino acid side chains.
Chemistry, 18, 2012
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5YY6
 | | Crystal structure of Arabidopsis thaliana HPPD truncated mutant complexed with Benquitrione | | Descriptor: | 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, W.C, Chen, J.N, Yang, G.F. | | Deposit date: | 2017-12-08 | | Release date: | 2019-01-16 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Crystal Structure of 4-Hydroxyphenylpyruvate Dioxygenase in Complex with Substrate Reveals a New Starting Point for Herbicide Discovery.
Research (Wash D C), 2019, 2019
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6A73
 | | Complex structure of CSN2 with IP6 | | Descriptor: | COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION | | Authors: | Liu, L, Li, D, Rao, F, Wang, T. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.447 Å) | | Cite: | Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3KKV
 | | Structure of PKA with a protein Kinase B-selective inhibitor. | | Descriptor: | (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Elkins, P.A, Concha, N.O. | | Deposit date: | 2009-11-06 | | Release date: | 2010-12-22 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
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