1TQ3
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2W1E
| Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-5-YL)METHYL]MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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1P92
| Crystal Structure of (H79A)DtxR | Descriptor: | BETA-MERCAPTOETHANOL, Diphtheria toxin repressor | Authors: | D'Aquino, J.A, Ringe, D. | Deposit date: | 2003-05-08 | Release date: | 2004-05-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Determinants of the SRC homology domain 3-like fold. J.Bacteriol., 185, 2003
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5MGV
| Kinetic and Structural Changes in HsmtPheRS, Induced by Pathogenic Mutations in Human FARS2 | Descriptor: | Phenylalanine--tRNA ligase, mitochondrial | Authors: | Kartvelishvili, E, Tworowski, D, Vernon, H, Chrzanowska-Lightowlers, Z, Moor, N, Wang, J, Wong, L.-J, Safro, M. | Deposit date: | 2016-11-22 | Release date: | 2017-05-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Kinetic and structural changes in HsmtPheRS, induced by pathogenic mutations in human FARS2. Protein Sci., 26, 2017
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5MQG
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5MQO
| Glycoside hydrolase BT_1003 | Descriptor: | Non-reducing end beta-L-arabinofuranosidase | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions. Nature, 544, 2017
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1OWT
| Structure of the Alzheimer's disease amyloid precursor protein copper binding domain | Descriptor: | Amyloid beta A4 protein | Authors: | Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R. | Deposit date: | 2003-03-30 | Release date: | 2003-05-13 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS. J.Biol.Chem., 278, 2003
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2VKI
| Structure of the PDK1 PH domain K465E mutant | Descriptor: | 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION | Authors: | Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-12-19 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance. Mol.Cell.Biol., 28, 2008
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7ORW
| Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265 | Descriptor: | 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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2V92
| Crystal structure of the regulatory fragment of mammalian AMPK in complexes with ATP-AMP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2007-08-20 | Release date: | 2007-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase Nature, 449, 2007
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7OQP
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ113 | Descriptor: | ACETATE ION, N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7ORU
| Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z. | Deposit date: | 2021-06-06 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16. Rsc Chem Biol, 3, 2022
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1OYX
| CRYSTAL STRUCTURE OF 3-MBT REPEATS OF LETHAL (3) MALIGNANT BRAIN TUMOR (SELENO-MET) AT 1.85 ANGSTROM | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lethal(3)malignant brain tumor-like protein, SULFATE ION | Authors: | Wang, W.K, Tereshko, V, Boccuni, P, MacGrogan, D, Nimer, S.D, Patel, D.J. | Deposit date: | 2003-04-07 | Release date: | 2003-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Malignant brain tumor repeats: a three-leaved propeller architecture with ligand/peptide binding pockets. Structure, 11, 2003
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7OQO
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ111 | Descriptor: | 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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7OQL
| Crystal structure of the human METTL3-METTL14 complex with compound UOZ094 | Descriptor: | (3~{R})-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-3-[[[6-[[(3~{S})-3-propan-2-yl-2-azoniaspiro[3.3]heptan-2-yl]methyl]naphthalen-1-yl]amino]methyl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
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1OT8
| Structure of the Ankyrin Domain of the Drosophila Notch Receptor | Descriptor: | MAGNESIUM ION, Neurogenic locus Notch protein | Authors: | Zweifel, M.E, Leahy, D.J, Hughson, F.M, Barrick, D. | Deposit date: | 2003-03-21 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and stability of the ankyrin domain of the Drosophila Notch receptor Protein Sci., 12, 2003
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5MN8
| S. aureus FtsZ 12-316 F138A GTP Closed form (5FCm) | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Wagstaff, J.M, Tsim, M, Kureisaite-Ciziene, D, Lowe, J. | Deposit date: | 2016-12-12 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments. MBio, 8, 2017
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2VH1
| Crystal structure of bacterial cell division protein FtsQ from E.coli | Descriptor: | CELL DIVISION PROTEIN FTSQ | Authors: | van den Ent, F, Vinkenvleugel, T, Ind, A, West, P, Veprintsev, D, Naninga, N, den Blaauwen, T, Lowe, J. | Deposit date: | 2007-11-16 | Release date: | 2008-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Mutational Analysis of Cell Division Protein Ftsq Mol.Microbiol., 68, 2008
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1OVE
| The structure of p38 alpha in complex with a dihydroquinolinone | Descriptor: | 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE, GLYCEROL, Mitogen-activated protein kinase 14 | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-26 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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5NUU
| Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor | Descriptor: | (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | Deposit date: | 2017-05-02 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
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1R6O
| ATP-dependent Clp protease ATP-binding subunit clpA/ATP-dependent Clp protease adaptor protein clpS | Descriptor: | ATP-dependent Clp protease ATP-binding subunit clpA, ATP-dependent Clp protease adaptor protein clpS, BIS-(2-HYDROXYETHYL)AMINO-TRIS(HYDROXYMETHYL)METHANE YTTRIUM, ... | Authors: | Xia, D, Maurizi, M.R, Guo, F, Singh, S.K, Esser, L. | Deposit date: | 2003-10-15 | Release date: | 2005-02-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystallographic investigation of peptide binding sites in the N-domain of the
ClpA chaperone J.Struct.Biol., 146, 2004
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7LYC
| Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A Lys13 and Lys15 in complex with BARD1 (residues 415-777) | Descriptor: | BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | Deposit date: | 2021-03-06 | Release date: | 2021-06-16 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation. Nature, 596, 2021
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2V2T
| X-ray structure of a NF-kB p50-RelB-DNA complex | Descriptor: | 5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*CP*CP*CP)-3', NUCLEAR FACTOR NF-KAPPA-B P105 SUBUNIT, TRANSCRIPTION FACTOR RELB | Authors: | Moorthy, A.K, Huang, D.B, Wang, V.Y, Vu, D, Ghosh, G. | Deposit date: | 2007-06-07 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | X-Ray Structure of a NF-kappaB p50/Relb/DNA Complex Reveals Assembly of Multiple Dimers on Tandem kappaB Sites. J.Mol.Biol., 373, 2007
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7NN3
| A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Caldicellulosiruptor kristjansonii | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-xylanase, ... | Authors: | Krska, D, Mazurkewich, S, Navarro Poulsen, J, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2021-02-24 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88948345 Å) | Cite: | Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Biochemistry, 60, 2021
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5MBS
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