5FTQ
 
 | | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | Deposit date: | 2016-01-14 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
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4XFN
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1B7Y
 | | PHENYLALANYL TRNA SYNTHETASE COMPLEXED WITH PHENYLALANINYL-ADENYLATE | | Descriptor: | ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE], MAGNESIUM ION, PROTEIN (PHENYLALANYL-TRNA SYNTHETASE) | | Authors: | Reshetnikova, L, Moor, N, Lavrik, O, Vassylyev, D.G. | | Deposit date: | 1999-01-26 | | Release date: | 2000-01-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of phenylalanyl-tRNA synthetase complexed with phenylalanine and a phenylalanyl-adenylate analogue.
J.Mol.Biol., 287, 1999
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1G6A
 | | PSE-4 CARBENICILLINASE, R234K MUTANT | | Descriptor: | BETA-LACTAMASE PSE-4, SULFATE ION | | Authors: | Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J. | | Deposit date: | 2000-11-03 | | Release date: | 2001-02-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies.
Biochemistry, 40, 2001
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4Y0C
 | | The structure of Arabidopsis ClpT2 | | Descriptor: | CHLORIDE ION, Clp protease-related protein At4g12060, chloroplastic, ... | | Authors: | Kimber, M.S, Schultz, L. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Structures, Functions, and Interactions of ClpT1 and ClpT2 in the Clp Protease System of Arabidopsis Chloroplasts.
Plant Cell, 27, 2015
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1B4O
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4XNG
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4Y34
 | | Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143 | | Descriptor: | 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ... | | Authors: | Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N. | | Deposit date: | 2015-02-10 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
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7PRM
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 13 | | Descriptor: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | | Authors: | Grether, U, Gobbi, L, Kuhn, B, Collin, L, Leibrock, L, Heer, D, Wittwer, M, Benz, J. | | Deposit date: | 2021-09-22 | | Release date: | 2022-02-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.
J.Med.Chem., 65, 2022
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4Y0B
 | | The structure of Arabidopsis ClpT1 | | Descriptor: | CHLORIDE ION, Double Clp-N motif protein | | Authors: | Kimber, M.S, Schultz, L. | | Deposit date: | 2015-02-05 | | Release date: | 2015-05-13 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures, Functions, and Interactions of ClpT1 and ClpT2 in the Clp Protease System of Arabidopsis Chloroplasts.
Plant Cell, 27, 2015
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4Y3C
 | | I304V 3D polymerase mutant of EMCV | | Descriptor: | 3D polymerase, CHLORIDE ION, GLYCEROL | | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | | Deposit date: | 2015-02-10 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
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1GOK
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1GOQ
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1GOO
 | | Thermostable xylanase I from Thermoascus aurantiacus - Cryocooled glycerol complex | | Descriptor: | ENDO-1,4-BETA-XYLANASE, GLYCEROL | | Authors: | Eckert, K, Andrei, C, Larsen, S, Lo Leggio, L. | | Deposit date: | 2001-10-22 | | Release date: | 2001-12-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Substrate Specificity and Subsite Mobility in T. Aurantiacus Xylanase 10A
FEBS Lett., 509, 2001
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4Y2C
 | | M300V 3D polymerase mutant of EMCV | | Descriptor: | GLYCEROL, Genome polyprotein | | Authors: | Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L. | | Deposit date: | 2015-02-09 | | Release date: | 2015-04-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
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1GOM
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1BT5
 | | CRYSTAL STRUCTURE OF THE IMIPENEM INHIBITED TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, PROTEIN (BETA-LACTAMASE), SULFATE ION | | Authors: | Maveyraud, L, Mourey, L, Pedelacq, J.D, Guillet, V, Kotra, L.K, Mobashery, S, Samama, J.P. | | Deposit date: | 1998-09-02 | | Release date: | 1999-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Clinical Longevity of Carbapenem Antibiotics in the Face of Challenge by the Common Class A Beta-Lactamases from Antibiotic-Resistant Bacteria
J.Am.Chem.Soc., 120, 1998
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4YFF
 | | TNNI3K complexed with inhibitor 2 | | Descriptor: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | | Deposit date: | 2015-02-25 | | Release date: | 2015-09-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
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1H97
 | | Trematode hemoglobin from Paramphistomum epiclitum | | Descriptor: | Globin-3, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Pesce, A, Dewilde, S, Kiger, L, Milani, M, Ascenzi, P, Marden, M.C, Van Hauwaert, M.L, Vanfleteren, J, Moens, L, Bolognesi, M. | | Deposit date: | 2001-03-02 | | Release date: | 2001-06-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Very High Resolution Structure of a Trematode Hemoglobin Displaying a Tyrb10-Tyre7 Heme Distal Residue Pair and High Oxygen Affinity
J.Mol.Biol., 309, 2001
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1H4W
 | | Structure of human trypsin IV (brain trypsin) | | Descriptor: | BENZAMIDINE, CALCIUM ION, TRYPSIN IVA | | Authors: | Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L. | | Deposit date: | 2001-05-15 | | Release date: | 2002-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure reveals basis for the inhibitor resistance of human brain trypsin.
J. Mol. Biol., 315, 2002
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4YQH
 | | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | | Descriptor: | 2-[2-(4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D, Herman, L, Wang, T. | | Deposit date: | 2015-03-13 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.308 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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4YS7
 | | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | | Descriptor: | 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline, MAGNESIUM ION, ZINC ION, ... | | Authors: | Burdi, D.F, Herman, L, Wang, T. | | Deposit date: | 2015-03-16 | | Release date: | 2015-04-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A.
Bioorg.Med.Chem.Lett., 25, 2015
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4YFI
 | | TNNI3K complexed with inhibitor 1 | | Descriptor: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | | Deposit date: | 2015-02-25 | | Release date: | 2015-09-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
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1HMU
 | | ACTIVE SITE OF CHONDROITINASE AC LYASE REVEALED BY THE STRUCTURE OF ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS | | Descriptor: | 2-O-methyl-beta-L-fucopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-2)-[alpha-L-rhamnopyranose-(1-4)]alpha-D-mannopyranose, 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | Authors: | Huang, W, Boju, L, Tkalec, L, Su, H, Yang, H.O, Gunay, N.S, Linhardt, R.J, Kim, Y.S, Matte, A, Cygler, M. | | Deposit date: | 2000-12-05 | | Release date: | 2001-05-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active site of chondroitin AC lyase revealed by the structure of enzyme-oligosaccharide complexes and mutagenesis.
Biochemistry, 40, 2001
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1HLF
 | | BINDING OF GLUCOPYRANOSYLIDENE-SPIRO-THIOHYDANTOIN TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUD | | Descriptor: | (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Oikonomakos, N.G, Skamnaki, V.T, Docsa, T, Toth, B, Gergely, P, Osz, E, Szilagyi, L, Somsak, L. | | Deposit date: | 2000-12-01 | | Release date: | 2000-12-13 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Kinetic and crystallographic studies of glucopyranosylidene spirothiohydantoin
binding to glycogen phosphorylase B
BIOORG.MED.CHEM., 10, 2002
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