6KXB
 
 | | Galectin-3 CRD binds to GalA trimer | | Descriptor: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | | Authors: | Su, J. | | Deposit date: | 2019-09-10 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3.
Glycobiology, 31, 2021
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6LBD
 | | shrimp ferritin T158R G159R | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin | | Authors: | Zhao, G, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.386 Å) | | Cite: | Construction of thermally robust and porous shrimp ferritin crystalline for molecular encapsulation through intermolecular arginine-arginine attractions.
Food Chem, 349, 2021
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6LPX
 | | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with 2-oxoglutarate (2-OG) | | Descriptor: | 2-OXOGLUTARIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ... | | Authors: | Yang, J, Zhu, H, Ding, J. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
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6LPP
 | | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-2-hydroxyglutarate (D-2-HG) | | Descriptor: | (2R)-2-hydroxypentanedioic acid, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ... | | Authors: | Yang, J, Zhu, H, Ding, J. | | Deposit date: | 2020-01-12 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
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9M3O
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9M3P
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5YZ3
 | | Crystal structure of T2R-TTL-28 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Yu, Y, Chen, Q. | | Deposit date: | 2017-12-12 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.545 Å) | | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | Descriptor: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | Deposit date: | 2018-06-15 | | Release date: | 2019-04-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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5Y6M
 | | Zika virus helicase in complex with ADP-AlF3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ... | | Authors: | Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T. | | Deposit date: | 2017-08-12 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Mechanism of ATP hydrolysis by the Zika virus helicase.
FASEB J., 32, 2018
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1OP0
 | | Crystal Structure of AaV-SP-I, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | Authors: | Zhu, Z, Teng, M, Niu, L. | | Deposit date: | 2003-03-04 | | Release date: | 2004-05-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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4DTK
 | | Novel and selective pan-PIM kinase inhibitor | | Descriptor: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2012-02-21 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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1OP2
 | | Crystal Structure of AaV-SP-II, a Glycosylated Snake Venom Serine Proteinase from Agkistrodon acutus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Venom serine proteinase | | Authors: | Zhu, Z, Teng, M, Niu, L. | | Deposit date: | 2003-03-04 | | Release date: | 2004-05-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures and Amidolytic Activities of Two Glycosylated Snake Venom Serine Proteinases
J.BIOL.CHEM., 280, 2005
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9MZA
 | | Chemically Hijacked BCL6-TCIP3-p300 Complex | | Descriptor: | 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, B-cell lymphoma 6 protein, Histone acetyltransferase p300 | | Authors: | Hinshaw, S.M, Gray, N.S, Nix, M.N, Gourisankar, S, Martinez, M, Crabtree, G.R. | | Deposit date: | 2025-01-22 | | Release date: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Bivalent Molecular Glue Linking Lysine Acetyltransferases to Oncogene-induced Cell Death.
Biorxiv, 2025
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8HTS
 | | Crystal structure of Bcl2 in complex with S-10r | | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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8HTR
 | | Crystal structure of Bcl2 in complex with S-9c | | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | | Deposit date: | 2022-12-21 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
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9JCO
 | | Cryo-EM structure of the proton-sensing GPCR (GPR4)-Gs protein complex at pH 6.5 | | Descriptor: | 2-[[(2~{R})-3-acetyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL, G-protein coupled receptor 4, ... | | Authors: | You, C, Xu, H.E, Jiang, Y. | | Deposit date: | 2024-08-30 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.36 Å) | | Cite: | Molecular mechanism of pH sensing and activation in GPR4 reveals proton-mediated GPCR signaling.
Cell Discov, 11, 2025
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9JCP
 | | Cryo-EM structure of the proton-sensing GPCR (GPR4)-Gq protein complex at pH 7.4 | | Descriptor: | 2-[[(2~{R})-3-acetyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL, G-protein coupled receptor 4, ... | | Authors: | Xu, H.E, You, C, Jiang, Y. | | Deposit date: | 2024-08-30 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Molecular mechanism of pH sensing and activation in GPR4 reveals proton-mediated GPCR signaling.
Cell Discov, 11, 2025
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9JCQ
 | | Cryo-EM structure of the proton-sensing GPCR (GPR4)-Gs protein complex at pH 7.4 | | Descriptor: | 2-[[(2~{R})-3-acetyloxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL, G-protein coupled receptor 4, ... | | Authors: | You, C, Xu, H.E, Jiang, Y. | | Deposit date: | 2024-08-30 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Molecular mechanism of pH sensing and activation in GPR4 reveals proton-mediated GPCR signaling.
Cell Discov, 11, 2025
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4JL3
 | | Crystal structure of ms6564-dna complex | | Descriptor: | DNA (31-MER), Transcriptional regulator, TetR family | | Authors: | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | | Deposit date: | 2013-03-12 | | Release date: | 2013-06-26 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
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4JKZ
 | | Crystal structure of ms6564 from mycobacterium smegmatis | | Descriptor: | Transcriptional regulator, TetR family | | Authors: | Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H. | | Deposit date: | 2013-03-12 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
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5YAD
 | | Crystal structure of Marf1 Lotus domain from Mus musculus | | Descriptor: | GLYCEROL, Meiosis regulator and mRNA stability factor 1, SULFATE ION | | Authors: | Yao, Q.Q, Wu, B.X, Ma, J.B. | | Deposit date: | 2017-08-31 | | Release date: | 2018-10-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5YAA
 | | Crystal structure of Marf1 NYN domain from Mus musculus | | Descriptor: | GLYCEROL, Meiosis regulator and mRNA stability factor 1 | | Authors: | Yao, Q.Q, Wu, B.X, Ma, J.B. | | Deposit date: | 2017-08-31 | | Release date: | 2018-10-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Ribonuclease activity of MARF1 controls oocyte RNA homeostasis and genome integrity in mice.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6UX9
 | | Crystal Structure Analysis of PIP4K2A | | Descriptor: | N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Seo, H.-S, Dhe-Paganon, S. | | Deposit date: | 2019-11-07 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery and Structure-Activity Relationship Study of ( Z )-5-Methylenethiazolidin-4-one Derivatives as Potent and Selective Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors.
J.Med.Chem., 63, 2020
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5ZZ2
 | | Crystal structure of PDE5 in complex with inhibitor LW1634 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-05-29 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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6ACB
 | | Crystal structure of PDE5 in complex with inhibitor LW1805 | | Descriptor: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-6-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B. | | Deposit date: | 2018-07-26 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
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