2W96
 
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1, GLYCEROL | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-21 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2W99
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-22 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2W9Z
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-30 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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1BNL
 | | ZINC DEPENDENT DIMERS OBSERVED IN CRYSTALS OF HUMAN ENDOSTATIN | | Descriptor: | COLLAGEN XVIII, ZINC ION | | Authors: | Ding, Y.-H, Javaherian, K, Lo, K.-M, Chopra, R, Boehm, T, Lanciotti, J, Harris, B.A, Li, Y, Shapiro, R, Hohenester, E, Timpl, R, Folkman, J, Wiley, D.C. | | Deposit date: | 1998-07-30 | | Release date: | 1998-10-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Zinc-dependent dimers observed in crystals of human endostatin.
Proc.Natl.Acad.Sci.USA, 95, 1998
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2W9F
 | | Crystal Structure of CDK4 in complex with a D-type cyclin | | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | | Deposit date: | 2009-01-23 | | Release date: | 2009-03-10 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4ZIA
 | | Crystal Structure of STAT3 N-terminal domain | | Descriptor: | FORMIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | | Authors: | Hu, T, Chopra, R. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity.
Mol.Cell.Biol., 35, 2015
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1A0E
 | | XYLOSE ISOMERASE FROM THERMOTOGA NEAPOLITANA | | Descriptor: | COBALT (II) ION, XYLOSE ISOMERASE | | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | | Deposit date: | 1997-11-28 | | Release date: | 1998-06-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
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1A0D
 | | XYLOSE ISOMERASE FROM BACILLUS STEAROTHERMOPHILUS | | Descriptor: | MANGANESE (II) ION, XYLOSE ISOMERASE | | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | | Deposit date: | 1997-11-28 | | Release date: | 1998-06-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
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1A0C
 | | XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES | | Descriptor: | COBALT (II) ION, XYLOSE ISOMERASE | | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | | Deposit date: | 1997-11-28 | | Release date: | 1998-06-03 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile
To be Published
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3L3A
 | | Bace-1 with the aminopyridine Compound 32 | | Descriptor: | 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-12-16 | | Release date: | 2010-04-28 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.362 Å) | | Cite: | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3L38
 | | Bace1 in complex with the aminopyridine Compound 44 | | Descriptor: | 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-12-16 | | Release date: | 2010-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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1FAV
 | | THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE | | Descriptor: | HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN) | | Authors: | Zhou, G, Ferrer, M, Chopra, R, Strassmaier, T, Weissenhorn, W, Skehel, J.J, Oprian, D, Schreiber, S.L, Harrison, S.C, Wiley, D.C. | | Deposit date: | 2000-07-13 | | Release date: | 2000-08-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8, 2000
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8FPQ
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-PHE-VAL-PRO-THR-THR-BIF-MAA-BIF-MAA-GLU-ALA-PRO-ALA-NEH inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-05 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FPO
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-ALA-7T2-GLY-004-7T2-SER-7T2-0NC inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-05 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVO
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, MCR-ALA-7T2-GLY-004-7T2-SER-7T2-ALA-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.652 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVP
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, PPI-YD5-NLE-7T2-SER-7T2-DPP-GLY-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVQ
 | | PCSK9 in complex with an inhibitor | | Descriptor: | ACE-PHE-VAL-DAB-THR-THR-PHE-MAA-BIF-YBR inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVL
 | | PCSK9 in complex with an inhibitor | | Descriptor: | Proprotein convertase subtilisin/kexin type 9, YBX-YC3-VAL-PRO-THR-THR-PHE-MAA-CYS-MN1 inhibitor | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVM
 | | PCSK9 in complex with an inhibitor | | Descriptor: | CALCIUM ION, DGN-DVA-YC3-GLU-PRO-THR-THR-PHE-MAA-A1BC0 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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8FVN
 | | PCSK9 in complex with an inhibitor | | Descriptor: | MCR-ALO-MAA-ALA-MAA-NLE-7T2-SER-7T2-ALA-NH2 inhibitor, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Xu, M, Chopra, R. | | Deposit date: | 2023-01-19 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-30 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Discovery of Truncated Cyclic Peptides Targeting an Induced-Fit Pocket on PCSK9.
Chemmedchem, 19, 2024
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3IND
 | | Bace1 with the aminohydantoin Compound 29 | | Descriptor: | (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-08-12 | | Release date: | 2010-03-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
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3INE
 | | Bace1 with the aminohydantoin Compound S-34 | | Descriptor: | (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-08-12 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.996 Å) | | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
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3INF
 | | Bace1 with the aminohydantoin Compound 37 | | Descriptor: | (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-08-12 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
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3INH
 | | Bace1 with the aminohydantoin Compound R-58 | | Descriptor: | (5R)-2-amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 | | Authors: | Olland, A.M, Chopra, R. | | Deposit date: | 2009-08-12 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
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3FXY
 | | Acidic Mammalian Chinase, Catalytic Domain | | Descriptor: | Acidic mammalian chitinase | | Authors: | Olland, A.M. | | Deposit date: | 2009-01-21 | | Release date: | 2009-03-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase.
Protein Sci., 18, 2009
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