1SMR
 
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6R5M
 | | Crystal structure of toxin MT9 from mamba venom | | Descriptor: | ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ... | | Authors: | Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L. | | Deposit date: | 2019-03-25 | | Release date: | 2020-02-12 | | Last modified: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries
Biomed Pharmacother, 150, 2022
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6QWU
 | | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 5.5 with Mn2+ and CoA. | | Descriptor: | COENZYME A, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2019-03-06 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
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6QXQ
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6QXR
 | | 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 8.5 with Mn2+ and CoA. | | Descriptor: | CALCIUM ION, COENZYME A, MANGANESE (II) ION, ... | | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2019-03-07 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
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5BO0
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5BNV
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6RCX
 | | Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC. | | Descriptor: | CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ... | | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases.
Febs J., 287, 2020
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5BNX
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1HCV
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5LEF
 | | Rab6A:Kif20A complex | | Descriptor: | GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ISOPROPYL ALCOHOL, ... | | Authors: | Bressanelli, G, Pylypenko, O, Houdusse, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.088 Å) | | Cite: | Coupling fission and exit of RAB6 vesicles at Golgi hotspots through kinesin-myosin interactions.
Nat Commun, 8, 2017
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8U2E
 | | Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | | Descriptor: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Gajewski, S, Clifton, M.C. | | Deposit date: | 2023-09-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
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1LOG
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8U2D
 | | Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | | Descriptor: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Gajewski, S, Clifton, M.C. | | Deposit date: | 2023-09-05 | | Release date: | 2024-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies.
J.Med.Chem., 67, 2024
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1BBS
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1ZGC
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | | Descriptor: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2005-04-21 | | Release date: | 2005-08-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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6FYO
 | | X-RAY STRUCTURE OF CLK1-KD(148-484)/Cpd-2 AT 2.32A | | Descriptor: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK1, SULFATE ION | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYV
 | | X-RAY STRUCTURE OF CLK4-KD(146-480)/CX-4945 AT 2.46A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK4, SULFATE ION | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYR
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A | | Descriptor: | 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide, Dual specificity protein kinase CLK3 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYP
 | | X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/CX-4945 AT 2.29A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK3 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYI
 | | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | | Descriptor: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYK
 | | X-Ray structure of CLK2-KD(136-496)/Indazole1 at 2.39A | | Descriptor: | (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine, Dual specificity protein kinase CLK2 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6FYL
 | | X-ray structure of CLK2-KD(136-496)/CX-4945 at 1.95A | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Dual specificity protein kinase CLK2 | | Authors: | Kallen, J. | | Deposit date: | 2018-03-12 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome.
ChemMedChem, 13, 2018
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6NF7
 | | Crystal Structure of RT1.Aa-Bu31-10 | | Descriptor: | Beta-2-microglobulin, Bu31-10 peptide, RT1A.a | | Authors: | Gras, S. | | Deposit date: | 2018-12-19 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Cross-Reactive Donor-Specific CD8+Tregs Efficiently Prevent Transplant Rejection.
Cell Rep, 29, 2019
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3L3H
 | | X-ray crystal structure of the F6A mutant of influenza A acid polymerase epitope PA224 bound to murine H2-Db MHC | | Descriptor: | 10-mer peptide from Polymerase acidic protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Welland, A, Clements, C.S, Dunstone, M.A, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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