6HX4
 
 | | Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin | | Descriptor: | Alpha-1-antitrypsin, Fab 1D9 heavy chain, Fab 1D9 light chain | | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Lomas, D.A, Irving, J.A. | | Deposit date: | 2018-10-15 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
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4QMO
 | | MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16 | | Descriptor: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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7ACA
 | | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747 | | Descriptor: | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Kessler, D. | | Deposit date: | 2020-09-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH BI-5747
To Be Published
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6U0K
 | | TTBK2 kinase domain in complex with Compound 1 | | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Marcotte, D.J, Chodaparambil, J.V. | | Deposit date: | 2019-08-14 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | The crystal structure of the catalytic domain of tau tubulin kinase 2 in complex with a small-molecule inhibitor
Acta Crystallogr.,Sect.F, 76, 2020
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4QMV
 | | MST3 IN COMPLEX WITH PF-03814735, N-{2-[(1S,4R)-6-{[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,2,3,4-TETRAHYDRO-1,4-EPIMINONAPHTHALEN-9-YL]-2-OXOETHYL}ACETAMIDE | | Descriptor: | 1,2-ETHANEDIOL, N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-9-yl]-2-oxoethyl}acetamide, SERINE/THREONINE-PROTEIN KINASE 24 | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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7A2H
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | | Descriptor: | 1,2-ETHANEDIOL, 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-18 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7ZTD
 | | Non-muscle F-actin decorated with non-muscle tropomyosin 3.2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Non-muscle tropomyosin 3.2, actin, ... | | Authors: | Selvaraj, M, Kokate, S, Kogan, K, Kotila, T, Kremneva, E, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2022-05-09 | | Release date: | 2023-01-11 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis underlying specific biochemical activities of non-muscle tropomyosin isoforms.
Cell Rep, 42, 2023
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7A4V
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7A4C
 | | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | | Descriptor: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine, Casein kinase II subunit alpha, GLYCEROL, ... | | Authors: | Niefind, K, Lindenblatt, D, Toelzer, C, Bretner, M, Chojnacki, K, Wielechowska, M, Winska, P. | | Deposit date: | 2020-08-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Bioorg.Chem., 106, 2021
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7ZTC
 | | Non-muscle F-actin decorated with non-muscle tropomyosin 1.6 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Non-muscle tropomyosin 1.6, actin, ... | | Authors: | Selvaraj, M, Kokate, S, Kogan, K, Kotila, T, Kremneva, E, Lappalainen, P, Huiskonen, J.T. | | Deposit date: | 2022-05-09 | | Release date: | 2023-01-11 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis underlying specific biochemical activities of non-muscle tropomyosin isoforms.
Cell Rep, 42, 2023
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6HBJ
 | | Echovirus 18 empty particle | | Descriptor: | Viral protein 1, Viral protein 2, Viral protein 3 | | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | | Deposit date: | 2018-08-10 | | Release date: | 2019-03-20 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.16 Å) | | Cite: | Enterovirus particles expel capsid pentamers to enable genome release.
Nat Commun, 10, 2019
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8A4I
 | | Crystal structure of SALL4 zinc finger cluster 4 with AT-rich DNA | | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*TP*TP*AP*AP*TP*AP*TP*C)-3'), MAGNESIUM ION, Sal-like protein 4, ... | | Authors: | Watson, J.A, Pantier, R, Jayachandran, U, Chhatbar, K, Alexander-Howden, B, Kruusvee, V, Prendecki, M, Bird, A, Cook, A.G. | | Deposit date: | 2022-06-11 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome.
Life Sci Alliance, 6, 2023
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4QMC
 | | Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution | | Descriptor: | ACETATE ION, BIOTIN-D-SULFOXIDE, GLYCEROL, ... | | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-06-16 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution
To be published
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5FPM
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 5-phenyl-1,3,4-oxadiazole-2-thiol (AT809) in an alternate binding site. | | Descriptor: | 5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6TW2
 | | Re-refined crystal structure of di-phosphorylated human CLK1 in complex with a novel substituted indole inhibitor | | Descriptor: | Dual specificity protein kinase CLK1, ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate | | Authors: | Loll, B, Haltenhof, T, Heyd, F, Wahl, M.C. | | Deposit date: | 2020-01-12 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Conserved Kinase-Based Body-Temperature Sensor Globally Controls Alternative Splicing and Gene Expression.
Mol.Cell, 78, 2020
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7ZXN
 | | cryo-EM structure of Connexin 32 gap junction channel | | Descriptor: | CHOLESTEROL, Gap junction beta-1 protein | | Authors: | Qi, C, Korkhov, V.M. | | Deposit date: | 2022-05-21 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structures of wild-type and selected CMT1X mutant connexin 32 gap junction channels and hemichannels.
Sci Adv, 9, 2023
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6HAB
 | | Crystal structure of BiP V461F (apo) | | Descriptor: | DI(HYDROXYETHYL)ETHER, Endoplasmic reticulum chaperone BiP | | Authors: | Yan, Y, Ron, D. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
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7ZTL
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4QMQ
 | | MST3 in complex with CP-673451 | | Descriptor: | 1,2-ETHANEDIOL, 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.769 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QP8
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4QMY
 | | MST3 IN COMPLEX WITH STAUROSPORINE | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 24, ... | | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2014-06-16 | | Release date: | 2015-07-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.883 Å) | | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
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4QJ9
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4QN6
 | | Crystal structure of Neuraminidase N6 complexed with Laninamivir | | Descriptor: | 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, Neuraminidase, ... | | Authors: | Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F. | | Deposit date: | 2014-06-17 | | Release date: | 2014-07-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.945 Å) | | Cite: | Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
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7ZPC
 | | CDK2 in complex 9K-DOS | | Descriptor: | Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide | | Authors: | Watt, J.E, Martin, M.P, Noble, M.E.N. | | Deposit date: | 2022-04-27 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
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7A68
 | | proteinase K crystallized from 0.5 M NaNO3 | | Descriptor: | Proteinase K, SODIUM ION | | Authors: | Ilina, K.B, Kulikov, A.G, Timofeev, V.I, Marchenkova, M.A, Pisarevsky, Y.V, Kovalchuk, M.V. | | Deposit date: | 2020-08-25 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | proteinase K crystallized from 0.5 M NaNO3
To Be Published
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