6EYM
 
 | | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | | Descriptor: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-09-12 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design.
J. Med. Chem., 61, 2018
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6F28
 | | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A | | Descriptor: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2017-11-23 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018
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6FJI
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6FJJ
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8GAE
 | | Hsp90 provides platform for CRaf dephosphorylation by PP5 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ... | | Authors: | Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A. | | Deposit date: | 2023-02-22 | | Release date: | 2023-04-26 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
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6FSD
 | | Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... | | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
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6GCE
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7MDH
 | | STRUCTURAL BASIS FOR LIGHT ACITVATION OF A CHLOROPLAST ENZYME. THE STRUCTURE OF SORGHUM NADP-MALATE DEHYDROGENASE IN ITS OXIDIZED FORM | | Descriptor: | PROTEIN (MALATE DEHYDROGENASE), ZINC ION | | Authors: | Johansson, K, Ramaswamy, S, Saarinen, M, Lemaire-Chamley, M, Issakidis-Bourguet, E, Miginiac-Maslow, M, Eklund, H. | | Deposit date: | 1999-02-16 | | Release date: | 1999-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Biochemistry, 38, 1999
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6GHO
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3MPT
 | | Crystal structure of P38 kinase in complex with a pyrrole-2-carboxamide inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 14, N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide | | Authors: | Somers, D.O. | | Deposit date: | 2010-04-27 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.
Bioorg.Med.Chem.Lett., 20, 2010
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3NNU
 | | Crystal structure of P38 alpha in complex with DP1376 | | Descriptor: | 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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3NNW
 | | Crystal structure of P38 alpha in complex with DP802 | | Descriptor: | 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14 | | Authors: | Abendroth, J. | | Deposit date: | 2010-06-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
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5JLH
 | | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | | Authors: | von der Ecken, J, Heissler, S.M, Pathan-Chhatbar, S, Manstein, D.J, Raunser, S. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution.
Nature, 534, 2016
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5JLF
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3OBJ
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1B2L
 | | ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ALCOHOL DEHYDROGENASE, CALCIUM ION, ... | | Authors: | Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R. | | Deposit date: | 1998-11-26 | | Release date: | 1999-11-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
J.Mol.Biol., 289, 1999
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1B3N
 | | BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) | | Authors: | Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. | | Deposit date: | 1998-12-14 | | Release date: | 1999-04-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
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3MW1
 | | p38 kinase Crystal structure in complex with small molecule inhibitor | | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | | Deposit date: | 2010-05-05 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase
J.Med.Chem., 54, 2011
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1A8Z
 | | STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS | | Descriptor: | COPPER (I) ION, RUSTICYANIN | | Authors: | Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S. | | Deposit date: | 1998-03-30 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods.
Acta Crystallogr.,Sect.D, 54, 1998
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1C1H
 | | CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN | | Descriptor: | FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN | | Authors: | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | | Deposit date: | 1999-07-22 | | Release date: | 2000-03-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase.
J.Mol.Biol., 297, 2000
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1BXY
 | | CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30 FROM THERMUS THERMOPHILUS AT 1.9 A RESOLUTION: CONFORMATIONAL FLEXIBILITY OF THE MOLECULE. | | Descriptor: | PROTEIN (RIBOSOMAL PROTEIN L30) | | Authors: | Fedorov, R, Nevskaya, N, Khairullina, A, Tishchenko, S, Mikhailov, A, Garber, M, Nikonov, S. | | Deposit date: | 1998-10-09 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of ribosomal protein L30 from Thermus thermophilus at 1.9 A resolution: conformational flexibility of the molecule.
Acta Crystallogr.,Sect.D, 55, 1999
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1BXE
 | | RIBOSOMAL PROTEIN L22 FROM THERMUS THERMOPHILUS | | Descriptor: | CHLORIDE ION, PROTEIN (RIBOSOMAL PROTEIN L22) | | Authors: | Unge, J, Aberg, A, Al-Karadaghi, S, Nikulin, A, Nikonov, S, Davydova, N, Nevskaya, N, Garber, M, Liljas, A. | | Deposit date: | 1998-10-02 | | Release date: | 1998-10-07 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of ribosomal protein L22 from Thermus thermophilus: insights into the mechanism of erythromycin resistance.
Structure, 6, 1998
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1C2Y
 | | CRYSTAL STRUCTURES OF A PENTAMERIC FUNGAL AND AN ICOSAHEDRAL PLANT LUMAZINE SYNTHASE REVEALS THE STRUCTURAL BASIS FOR DIFFERENCES IN ASSEMBLY | | Descriptor: | 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, PROTEIN (LUMAZINE SYNTHASE) | | Authors: | Persson, K, Schneider, G, Jordan, D.B, Viitanen, P.V, Sandalova, T. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure analysis of a pentameric fungal and an icosahedral plant lumazine synthase reveals the structural basis for differences in assembly.
Protein Sci., 8, 1999
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5E94
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1JBY
 | | CRYSTAL STRUCTURE ANALYSIS OF A DUAL-WAVELENGTH EMISSION GREEN FLUORESCENT PROTEIN VARIANT AT LOW PH | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | Hanson, G.T, McAnaney, T.B, Park, E.S, Rendell, M.E.P, Yarbrough, D.K, Chu, S, Xi, L, Boxer, S.G, Montrose, M.H, Remington, S.J. | | Deposit date: | 2001-06-07 | | Release date: | 2003-01-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Green Fluorescent Protein Variants as Ratiometric Dual Emission pH Sensors. 1. Structural Characterization and Preliminary Application.
Biochemistry, 41, 2002
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