5L30
 
 | | Factor VIIa in complex with the inhibitor (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione | | Descriptor: | (2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,15,17-trimethyl-7-[1-(1H-tetrazol-5-yl)cyclopropyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5MEZ
 | | Crystal structure of Smad4-MH1 bound to the GGCT site. | | Descriptor: | CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ... | | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | | Deposit date: | 2016-11-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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5OD6
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5L2Z
 | | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid | | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclohexane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5L2Y
 | | Factor VIIa in complex with the inhibitor 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,20-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6,8,10(21),16,19-hexaen-7-yl] cyclobutane-1-carboxylic acid | | Descriptor: | 1-[(2R,15R)-2-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-4,15,17-trimethyl-3,12-dioxo-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-7-yl]cyclobutane-1-carboxylic acid, CALCIUM ION, Coagulation factor VII (Heavy Chain), ... | | Authors: | Wei, A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-09-28 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Synthesis and P1' SAR exploration of potent macrocyclic tissue factor-factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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5ODG
 | | Crystal structure of Smad3-MH1 bound to the GGCT site. | | Descriptor: | CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ... | | Authors: | Kaczmarska, Z, Marquez, J.A, Macias, M.J. | | Deposit date: | 2017-07-05 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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5MF0
 | | Crystal structure of Smad4-MH1 bound to the GGCCG site. | | Descriptor: | CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ... | | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | | Deposit date: | 2016-11-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
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3G0W
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4JWG
 | | Crystal structure of spTrm10(74) | | Descriptor: | ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase | | Authors: | Yan, W, Shao, Z. | | Deposit date: | 2013-03-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
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4JWF
 | | Crystal structure of spTrm10(74)-SAH complex | | Descriptor: | ACETIC ACID, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase | | Authors: | Yan, W, Shao, Z. | | Deposit date: | 2013-03-27 | | Release date: | 2013-10-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
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4JWH
 | | Crystal structure of spTrm10(Full length)-SAH complex | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase | | Authors: | Yan, W, Shao, Z. | | Deposit date: | 2013-03-27 | | Release date: | 2013-10-16 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
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8GDS
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4JWJ
 | | Crystal structure of scTrm10(84)-SAH complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | | Authors: | Yan, W, Shao, Z. | | Deposit date: | 2013-03-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
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5GXO
 | | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
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5VK0
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5VK1
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8K4H
 | | Crystal structure of PDE4D complexed with benzbromarone | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ZINC ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-07-18 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8K4C
 | | Crystal structure of PDE4D complexed with ethaverine hydrochloride | | Descriptor: | 1,2-ETHANEDIOL, 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-07-17 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
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8H08
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8H07
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8HF3
 | | Cryo-EM structure of human ZDHHC9/GCP16 complex | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, Golgin subfamily A member 7, PALMITIC ACID, ... | | Authors: | Wu, J, Hu, Q, Zhang, Y, Liu, S, Yang, A. | | Deposit date: | 2022-11-09 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
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8HFC
 | | Cryo-EM structure of yeast Erf2/Erf4 complex | | Descriptor: | PALMITIC ACID, Palmitoyltransferase ERF2, Ras modification protein ERF4, ... | | Authors: | Wu, J, Hu, Q, Zhang, Y, Yang, A, Liu, S. | | Deposit date: | 2022-11-10 | | Release date: | 2023-11-22 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Regulation of RAS palmitoyltransferases by accessory proteins and palmitoylation.
Nat.Struct.Mol.Biol., 31, 2024
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1D9X
 | | CRYSTAL STRUCTURE OF THE DNA REPAIR PROTEIN UVRB | | Descriptor: | EXCINUCLEASE UVRABC COMPONENT UVRB, ZINC ION | | Authors: | Theis, K, Chen, P.J, Skorvaga, M, Van Houten, B, Kisker, C. | | Deposit date: | 1999-10-30 | | Release date: | 2000-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of UvrB, a DNA helicase adapted for nucleotide excision repair.
EMBO J., 18, 1999
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1D9Z
 | | CRYSTAL STRUCTURE OF THE DNA REPAIR PROTEIN UVRB IN COMPLEX WITH ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, EXCINUCLEASE UVRABC COMPONENT UVRB, MAGNESIUM ION, ... | | Authors: | Theis, K, Chen, P.J, Skorvaga, M, Van Houten, B, Kisker, C. | | Deposit date: | 1999-10-30 | | Release date: | 2000-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Crystal structure of UvrB, a DNA helicase adapted for nucleotide excision repair.
EMBO J., 18, 1999
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8I7L
 | | Crystal structure of indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with a novel inhibitor | | Descriptor: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid, Indoleamine 2,3-dioxygenase 1, THIOSULFATE | | Authors: | Li, K, Liu, W, Dong, X. | | Deposit date: | 2023-02-01 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Apo-Form Selective Inhibition of IDO for Tumor Immunotherapy.
J Immunol., 209, 2022
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