1BD8
 
 | | STRUCTURE OF CDK INHIBITOR P19INK4D | | Descriptor: | P19INK4D CDK4/6 INHIBITOR | | Authors: | Baumgartner, R, Fernandez-Catalan, C, Winoto, A, Huber, R, Engh, R, Holak, T.A. | | Deposit date: | 1998-05-12 | | Release date: | 1998-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of human cyclin-dependent kinase inhibitor p19INK4d: comparison to known ankyrin-repeat-containing structures and implications for the dysfunction of tumor suppressor p16INK4a.
Structure, 6, 1998
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1ASQ
 | | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, AZIDE ION, ... | | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | | Deposit date: | 1992-11-25 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
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1ASP
 | | X-RAY STRUCTURES AND MECHANISTIC IMPLICATIONS OF THREE FUNCTIONAL DERIVATIVES OF ASCORBATE OXIDASE FROM ZUCCHINI: REDUCED-, PEROXIDE-, AND AZIDE-FORMS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ... | | Authors: | Messerschmidt, A, Luecke, H, Huber, R. | | Deposit date: | 1992-11-25 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | X-ray structures and mechanistic implications of three functional derivatives of ascorbate oxidase from zucchini. Reduced, peroxide and azide forms.
J.Mol.Biol., 230, 1993
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3ZXH
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4ZVV
 | | Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140 | | Descriptor: | (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Li, Y, Chen, Z, Eigenbrot, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
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6R99
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1AQW
 | | GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE | | Authors: | Prade, L, Huber, R, Manoharan, T.H, Fahl, W.E, Reuter, W. | | Deposit date: | 1997-08-03 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor.
Structure, 5, 1997
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5CMB
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5KJ2
 | | The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer | | Descriptor: | Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION | | Authors: | Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C. | | Deposit date: | 2016-06-17 | | Release date: | 2017-09-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
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5CMC
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7LJE
 | | Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases | | Descriptor: | 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300 | | Authors: | Jakob, C.G. | | Deposit date: | 2021-01-29 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.607 Å) | | Cite: | Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
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9GSS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, S-HEXYLGLUTATHIONE, ... | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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3ELM
 | | Crystal Structure of MMP-13 Complexed with Inhibitor 24f | | Descriptor: | (2R)-({[5-(4-ethoxyphenyl)thiophen-2-yl]sulfonyl}amino){1-[(1-methylethoxy)carbonyl]piperidin-4-yl}ethanoic acid, CALCIUM ION, Collagenase 3, ... | | Authors: | Kulathila, R, Monovich, L, Koehn, J. | | Deposit date: | 2008-09-22 | | Release date: | 2009-07-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13
J.Med.Chem., 52, 2009
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8GSS
 | | Human glutathione S-transferase P1-1, complex with glutathione | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ... | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-09-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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1BIP
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5YJE
 | | Crystal structure of HIRA(644-1017) | | Descriptor: | Protein HIRA, SULFATE ION | | Authors: | Sato, Y, Senda, M, Senda, T. | | Deposit date: | 2017-10-10 | | Release date: | 2018-06-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional activity of the H3.3 histone chaperone complex HIRA requires trimerization of the HIRA subunit
Nat Commun, 9, 2018
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4PGT
 | | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | | Authors: | Ji, X, Blaszczyk, J. | | Deposit date: | 1999-03-22 | | Release date: | 1999-09-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
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3PUP
 | | Structure of Glycogen Synthase Kinase 3 beta (GSK3B) in complex with a ruthenium octasporine ligand (OS1) | | Descriptor: | Glycogen synthase kinase-3 beta, Ruthenium octasporine | | Authors: | Filippakopoulos, P, Kraling, K, Essen, L.O, Meggers, E, Knapp, S. | | Deposit date: | 2010-12-06 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
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2PGT
 | | CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE | | Descriptor: | (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ... | | Authors: | Ji, X. | | Deposit date: | 1997-02-17 | | Release date: | 1997-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
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8V0F
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2GSR
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10GS
 | | HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE P1-1, L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide | | Authors: | Oakley, A, Parker, M. | | Deposit date: | 1997-08-14 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution.
J.Mol.Biol., 274, 1997
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4HWU
 | | Crystal structure of the Ig-C2 type 1 domain from mouse Fibroblast growth factor receptor 2 (FGFR2) [NYSGRC-005912] | | Descriptor: | Fibroblast growth factor receptor 2 | | Authors: | Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D, Celikigil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S, Glenn, A.S, Hillerich, B, Khafizov, K, Love, J, Patel, H, Rubinstein, R, Seidel, R, Stead, M, Toro, R, Nathenson, S.G, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | | Deposit date: | 2012-11-08 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (2.903 Å) | | Cite: | Crystal structure of the Ig-C2 type 1 domain from mouse FGFR2 [NYSGRC-005912]
to be published
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8G5C
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1B1U
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