5T2D
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![BU of 5t2d by Molmil](/molmil-images/mine/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
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![BU of 5t2m by Molmil](/molmil-images/mine/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
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![BU of 5t2g by Molmil](/molmil-images/mine/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
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![BU of 1jwb by Molmil](/molmil-images/mine/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
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![BU of 2nqv by Molmil](/molmil-images/mine/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
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![BU of 2nqs by Molmil](/molmil-images/mine/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
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![BU of 2nqn by Molmil](/molmil-images/mine/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
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![BU of 2nqr by Molmil](/molmil-images/mine/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
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![BU of 2nqu by Molmil](/molmil-images/mine/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
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![BU of 2nqq by Molmil](/molmil-images/mine/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
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![BU of 2lba by Molmil](/molmil-images/mine/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
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![BU of 2jn3 by Molmil](/molmil-images/mine/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
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![BU of 2k62 by Molmil](/molmil-images/mine/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
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![BU of 2nqk by Molmil](/molmil-images/mine/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
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![BU of 2nqm by Molmil](/molmil-images/mine/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
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![BU of 2o7i by Molmil](/molmil-images/mine/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
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![BU of 2nrs by Molmil](/molmil-images/mine/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
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![BU of 2nrp by Molmil](/molmil-images/mine/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
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![BU of 2nro by Molmil](/molmil-images/mine/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
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![BU of 2kcn by Molmil](/molmil-images/mine/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
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![BU of 2lfo by Molmil](/molmil-images/mine/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
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![BU of 5yy6 by Molmil](/molmil-images/mine/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
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![BU of 6a73 by Molmil](/molmil-images/mine/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
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![BU of 3kkv by Molmil](/molmil-images/mine/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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