1GG5
 
 | | CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION | | Descriptor: | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M. | | Deposit date: | 2000-07-12 | | Release date: | 2001-09-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones.
Structure, 9, 2001
|
|
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
|
|
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
|
|
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
|
|
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 | | Last modified: | 2024-10-09 | | 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
|
|
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
|
|
1H66
 | | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE CO WITH 2,5-diaziridinyl-3-hydroxyl-6-methyl-1,4-benzoquinone | | Descriptor: | 2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Faig, M, Bianchet, M.A, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2001-06-06 | | Release date: | 2001-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Development of Anticancer Drugs: Complexes of Nad(P)H:Quinone Oxidoreductase 1 with Chemotherapeutic Quinones
Structure, 9, 2001
|
|
7MSD
 | | Structure of EED bound to EEDi-6068 | | Descriptor: | (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, FORMIC ACID, Polycomb protein EED | | Authors: | Petrunak, E, Stuckey, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-10-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
|
|
7MSB
 | | Structure of EED bound to EEDi-4259 | | Descriptor: | (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one, Polycomb protein EED | | Authors: | Petrunak, E, Stuckey, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-10-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of EEDi-5273 as an Exceptionally Potent and Orally Efficacious EED Inhibitor Capable of Achieving Complete and Persistent Tumor Regression.
J.Med.Chem., 64, 2021
|
|
6IJL
 | |
1Z6E
 | |
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
|
|
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
|
|
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: | 2024-10-16 | | 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
|
|
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
|
|
1D4A
 | | CRYSTAL STRUCTURE OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AT 1.7 A RESOLUTION | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 1999-10-01 | | Release date: | 1999-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: species comparison and structural changes with substrate binding and release.
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
4QTI
 | | Crystal structure of human uPAR in complex with anti-uPAR Fab 8B12 | | Descriptor: | Urokinase plasminogen activator surface receptor, anti-uPAR antibody, heavy chain, ... | | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | | Deposit date: | 2014-07-08 | | Release date: | 2015-02-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
|
|
4QTH
 | | Crystal structure of anti-uPAR Fab 8B12 | | Descriptor: | anti-uPAR antibody, heavy chain, light chain | | Authors: | Zhao, B, Yuan, C, Luo, Z, Huang, M. | | Deposit date: | 2014-07-08 | | Release date: | 2015-02-25 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Stabilizing a flexible interdomain hinge region harboring the SMB binding site drives uPAR into its closed conformation.
J.Mol.Biol., 427, 2015
|
|
1DXO
 | | 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: | DUROQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2000-01-12 | | Release date: | 2000-04-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
1DXQ
 | | CRYSTAL STRUCTURE OF MOUSE NAD[P]H-QUINONE OXIDOREDUCTASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, QUINONE REDUCTASE | | Authors: | Faig, M, Bianchet, M.A, Chen, S, Winski, S, Ross, D, Amzel, L.M. | | Deposit date: | 2000-01-14 | | Release date: | 2000-04-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Recombinant Mouse and Human Nad(P)H:Quinone Oxidoreductases:Species Comparison and Structural Changes with Substrate Binding and Release
Proc.Natl.Acad.Sci.USA, 97, 2000
|
|
8W2C
 | |
8W2D
 | |
6KWR
 | |
6KWQ
 | |
6KZP
 | | calcium channel-ligand | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yan, N. | | Deposit date: | 2019-09-25 | | Release date: | 2019-12-18 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures of apo and antagonist-bound human Cav3.1.
Nature, 576, 2019
|
|
