5E4K
| Structure of ligand binding region of uPARAP at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, C-type mannose receptor 2, ... | Authors: | Yuan, C, Huang, M. | Deposit date: | 2015-10-06 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding Biochem.J., 473, 2016
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8EL0
| Structure of MBP-Mcl-1 in complex with a macrocyclic compound | Descriptor: | (7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EL1
| Structure of MBP-Mcl-1 in complex with ABBV-467 | Descriptor: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8EKX
| Structure of MBP-Mcl-1 in complex with MIK665 | Descriptor: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Judge, R.A, Judd, A.S, Souers, A.J. | Deposit date: | 2022-09-22 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond), 3, 2023
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8FRR
| Wild-type myocilin olfactomedin domain | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Ma, M.T, Lieberman, R.L, Huard, D.J.E. | Deposit date: | 2023-01-08 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Competition between inside-out unfolding and pathogenic aggregation in an amyloid-forming beta-propeller. Nat Commun, 15, 2024
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5EW6
| Structure of ligand binding region of uPARAP at pH 7.4 without calcium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C-type mannose receptor 2, ... | Authors: | Yuan, C, Huang, M. | Deposit date: | 2015-11-20 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structures of the ligand-binding region of uPARAP: effect of calcium ion binding Biochem.J., 473, 2016
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1H69
| CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,3,5,6,TETRAMETHYL-P-BENZOQUINONE (DUROQUINONE) AT 2.5 ANGSTROM RESOLUTION | Descriptor: | 3-(HYDROXYMETHYL)-1-METHYL-5-(2-METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | Deposit date: | 2001-06-08 | Release date: | 2001-09-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones Structure, 9, 2001
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6LW2
| The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase | Descriptor: | 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1 | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2020-02-07 | Release date: | 2020-05-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis. J.Med.Chem., 63, 2020
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2G00
| Factor Xa in complex with the inhibitor 3-(6-(2'-((dimethylamino)methyl)-4-biphenylyl)-7-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)benzamide | Descriptor: | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL-4-YL}-7-OXO-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-1-YL]BENZAMIDE, Coagulation factor X | Authors: | Alexander, R.S. | Deposit date: | 2006-02-10 | Release date: | 2006-10-03 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties. Bioorg.Med.Chem.Lett., 16, 2006
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7VQM
| GH2 beta-galacturonate AqGalA in complex with galacturonide | Descriptor: | CHLORIDE ION, GH2 beta-galacturonate AqGalA, beta-D-galactopyranuronic acid | Authors: | Yang, J. | Deposit date: | 2021-10-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Biochemical Basis of a Marine Bacterial Glycoside Hydrolase Family 2 beta-Glycosidase with Broad Substrate Specificity Appl.Environ.Microbiol., 88, 2022
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8W2D
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8W2C
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7XMN
| Structure of SARS-CoV-2 ORF8 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltodextrin-binding protein, ... | Authors: | Chen, X, Xu, W. | Deposit date: | 2022-04-26 | Release date: | 2023-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Glycosylated, Lipid-Binding, CDR-Like Domains of SARS-CoV-2 ORF8 Indicate Unique Sites of Immune Regulation. Microbiol Spectr, 11, 2023
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5YGF
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5YGD
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5YJO
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6AH7
| D45W/H226G mutant of marine bacterial prolidase | Descriptor: | MANGANESE (II) ION, SODIUM ION, SULFATE ION, ... | Authors: | Jian, Y, Yunzhu, X, Lijuan, L. | Deposit date: | 2018-08-17 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Repurposing a bacterial prolidase for organophosphorus hydrolysis: Reshaped catalytic cavity switches substrate selectivity. Biotechnol.Bioeng., 117, 2020
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6AH8
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5YGB
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5YGC
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5ZWK
| Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with fructose-1,6-bisphophate and AMP | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | Authors: | Yunyuan, H, Zeyuan, G, Junjie, Y, Ping, Y, Jian, W. | Deposit date: | 2018-05-15 | Release date: | 2019-05-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Location of FBPase catalytic metal binding site: a combined experimental and theoretical study To Be Published
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7CC2
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7DT2
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7E5C
| Bacterial prolidase mutant D45W/L225Y/H226L/H343I | Descriptor: | MANGANESE (II) ION, Xaa-Pro dipeptidase | Authors: | Yang, J. | Deposit date: | 2021-02-18 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-based redesign of the bacterial prolidase active-site pocket for efficient enhancement of methyl-parathion hydrolysis Catalysis Science And Technology, 11, 2021
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7DTE
| SARS-CoV-2 RdRP catalytic complex with T33-1 RNA | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA (33-MER), ... | Authors: | Wang, Q, Gong, P. | Deposit date: | 2021-01-04 | Release date: | 2021-10-20 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Remdesivir overcomes the S861 roadblock in SARS-CoV-2 polymerase elongation complex. Cell Rep, 37, 2021
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