8IJ9
| Crystal structure of the ELKS1/Rab6B complex | Descriptor: | ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Jin, G, Wei, Z. | Deposit date: | 2023-02-26 | Release date: | 2023-06-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation. J.Biol.Chem., 299, 2023
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8WHI
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8WHH
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2A8H
| Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | Descriptor: | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-07-08 | Release date: | 2006-02-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 16, 2006
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1W29
| Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-07-01 | Release date: | 2005-03-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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1W19
| Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)propane 1-phosphate | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ... | Authors: | Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2004-06-03 | Release date: | 2005-03-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,) Biochemistry, 44, 2005
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2ZE1
| X-ray structure of Bace-1 in complex with compound 6g | Descriptor: | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide, Beta-secretase 1 | Authors: | Chopra, R, Olland, A. | Deposit date: | 2007-12-05 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
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2ZDZ
| X-ray structure of Bace-1 in complex with compound 3.b.10 | Descriptor: | Beta-secretase 1, N-carbamimidoyl-2-[2-(2-chlorophenyl)-5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-1-yl]ethanamide | Authors: | Chopra, R, Olland, A. | Deposit date: | 2007-12-04 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg.Med.Chem.Lett., 18, 2008
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6IUH
| Crystal structure of GIT1 PBD domain in complex with Liprin-alpha2 | Descriptor: | ARF GTPase-activating protein GIT1, IODIDE ION, Liprin-alpha-2 | Authors: | Liang, M, Wei, Z. | Deposit date: | 2018-11-28 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics. J. Biol. Chem., 294, 2019
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6IUI
| Crystal structure of GIT1 PBD domain in complex with Paxillin LD4 motif | Descriptor: | ARF GTPase-activating protein GIT1, Paxillin | Authors: | Liang, M, Wei, Z. | Deposit date: | 2018-11-28 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis of the target-binding mode of the G protein-coupled receptor kinase-interacting protein in the regulation of focal adhesion dynamics. J. Biol. Chem., 294, 2019
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2VI5
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide | Descriptor: | 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ... | Authors: | Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R. | Deposit date: | 2007-11-27 | Release date: | 2008-04-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications. J.Org.Chem., 73, 2008
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7K22
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7K23
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7K25
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7K24
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2QU3
| BACE1 with Compound 2 | Descriptor: | Beta-secretase 1, N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide | Authors: | Chopra, R. | Deposit date: | 2007-08-03 | Release date: | 2008-08-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Thiophene substituted acylguanidines as BACE1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2QU2
| BACE1 with Compound 1 | Descriptor: | Beta-secretase 1, N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide | Authors: | Chopra, R. | Deposit date: | 2007-08-03 | Release date: | 2008-08-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Thiophene substituted acylguanidines as BACE1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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8YCM
| Monomeric Human STK19 | Descriptor: | Isoform 4 of Inactive serine/threonine-protein kinase 19, SULFATE ION | Authors: | Li, J, Ma, X, Dong, Z. | Deposit date: | 2024-02-18 | Release date: | 2024-03-06 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Mutations found in cancer patients compromise DNA binding of the winged helix protein STK19. Sci Rep, 14, 2024
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8WHM
| Crystal structure of the ELKS2/LL5beta complex | Descriptor: | ERC protein 2, Pleckstrin homology-like domain family B member 2 | Authors: | Jia, X, Wei, Z. | Deposit date: | 2023-09-23 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | CLASP-mediated competitive binding in protein condensates directs microtubule growth. Nat Commun, 15, 2024
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8WHK
| Crystal structure of CLASP2 in complex with LL5beta | Descriptor: | CHLORIDE ION, CLIP-associating protein 2, Pleckstrin homology-like domain family B member 2 | Authors: | Jia, X, Wei, Z. | Deposit date: | 2023-09-23 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | CLASP-mediated competitive binding in protein condensates directs microtubule growth. Nat Commun, 15, 2024
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8WHJ
| Crystal structure of CLASP2 TOG4 fused with LL5beta | Descriptor: | CHLORIDE ION, CLIP-associating protein 2,Pleckstrin homology-like domain family B member 2, DI(HYDROXYETHYL)ETHER | Authors: | Jia, X, Wei, Z. | Deposit date: | 2023-09-23 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | CLASP-mediated competitive binding in protein condensates directs microtubule growth. Nat Commun, 15, 2024
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8WHL
| Crystal structure of CLASP2 in complex with CENP-E | Descriptor: | ACETATE ION, CLIP-associating protein 2, Centromere-associated protein E, ... | Authors: | Jia, X, Wei, Z. | Deposit date: | 2023-09-23 | Release date: | 2024-08-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | CLASP-mediated competitive binding in protein condensates directs microtubule growth. Nat Commun, 15, 2024
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2C9D
| Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ... | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2C94
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE | Descriptor: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, POTASSIUM ION | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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2C92
| LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE, ... | Authors: | Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R. | Deposit date: | 2005-12-09 | Release date: | 2006-12-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis. FEBS J., 273, 2006
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