6ZSX
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6ZSW
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4K79
| Recognition of the Thomsen-Friedenreich Antigen by a Lamprey Variable Lymphocyte Receptor | Descriptor: | Variable lymphocyte receptor, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose | Authors: | Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A. | Deposit date: | 2013-04-16 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor. J.Biol.Chem., 288, 2013
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4K5U
| Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor | Descriptor: | Variable lymphocyte receptor, beta-D-galactopyranose | Authors: | Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A. | Deposit date: | 2013-04-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor. J.Biol.Chem., 288, 2013
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3OLD
| Crystal structure of alpha-amylase in complex with acarviostatin I03 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes J.Struct.Biol., 174, 2011
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3OLI
| Structures of human pancreatic alpha-amylase in complex with acarviostatin IV03 | Descriptor: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes. J.Struct.Biol., 174, 2011
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4IA0
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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4I9Z
| Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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3U9N
| X-ray crystal structure of compound 1 bound to human CHK1 kinase domain | Descriptor: | 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(piperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase Chk1 | Authors: | Fischmann, T.O. | Deposit date: | 2011-10-19 | Release date: | 2012-01-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of a Novel Series of CHK1 Kinase Inhibitors with Distinctive Hinge Binding Mode ACS MED.CHEM.LETT., 2012
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3OLG
| Structures of human pancreatic alpha-amylase in complex with acarviostatin III03 | Descriptor: | (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, CALCIUM ION, CHLORIDE ION, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes. J.Struct.Biol., 174, 2011
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3OLE
| Structures of human pancreatic alpha-amylase in complex with acarviostatin II03 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... | Authors: | Qin, X, Ren, L. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of human pancreatic alpha-amylase in complex with acarviostatins: Implications for drug design against type II diabetes. J.Struct.Biol., 174, 2011
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4R99
| Crystal structure of a uricase from Bacillus fastidious | Descriptor: | SULFATE ION, Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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4FFW
| Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P, Min, X. | Deposit date: | 2012-06-01 | Release date: | 2012-12-12 | Last modified: | 2021-05-19 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition To be published
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6IEW
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4R8X
| Crystal structure of a uricase from Bacillus fastidious | Descriptor: | Uricase | Authors: | Feng, J, Wang, L, Liu, H.B, Liu, L, Liao, F. | Deposit date: | 2014-09-03 | Release date: | 2015-05-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Crystal structure of Bacillus fastidious uricase reveals an unexpected folding of the C-terminus residues crucial for thermostability under physiological conditions. Appl.Microbiol.Biotechnol., 99, 2015
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8D4Z
| Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | Descriptor: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Bell, J.A. | Deposit date: | 2022-06-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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5K9I
| Crystal structure of c-SRC in complex with a covalent lysine probe | Descriptor: | 4-[(4-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-6-[(prop-2-yn-1-yl)carbamoyl]pyrimidin-2-yl}piperazin-1-yl)methyl]benzene-1-sulfonyl fluoride, Proto-oncogene tyrosine-protein kinase Src | Authors: | Wan, X, Ouyang, S, Zhao, Q, Taunton, J. | Deposit date: | 2016-05-31 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Broad-Spectrum Kinase Profiling in Live Cells with Lysine-Targeted Sulfonyl Fluoride Probes. J. Am. Chem. Soc., 139, 2017
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7VVE
| Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7VVC
| Crystal structure of inactive mutant of leaf-branch compost cutinase variant | Descriptor: | ACETATE ION, ACETIC ACID, CALCIUM ION, ... | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-05 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7SHP
| Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244) | Descriptor: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | Deposit date: | 2021-10-11 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists. Cell Chem Biol, 2023
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7SHO
| Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242) | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | Deposit date: | 2021-10-10 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists. Cell Chem Biol, 2023
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7W1N
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W44
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W45
| Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7L28
| Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin | Descriptor: | (2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one, ACETATE ION, MAGNESIUM ION, ... | Authors: | Horner, S.W, Garvie, C. | Deposit date: | 2020-12-16 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun, 12, 2021
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