5U2N
 
 | | Crystal structure of human NAMPT with A-1326133 | | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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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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5UPE
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5UPF
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5U8A
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(2-bromo-6-fluorophenyl)methyl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U6D
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6RAY
 | | D. melanogaster CMG-DNA, State 2A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2019-09-18 | | Method: | ELECTRON MICROSCOPY (4.28 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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6RAX
 | | D. melanogaster CMG-DNA, State 1B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2019-09-18 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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6RAZ
 | | D. melanogaster CMG-DNA, State 2B | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-18 | | Last modified: | 2021-01-20 | | Method: | ELECTRON MICROSCOPY (4.46 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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6RAW
 | | D. melanogaster CMG-DNA, State 1A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AT18545p, ... | | Authors: | Eickhoff, P, Martino, F, Costa, A. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-11 | | Last modified: | 2019-09-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Cell Rep, 28, 2019
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5KCI
 | | Crystal Structure of HTC1 | | Descriptor: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | | Authors: | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | | Deposit date: | 2016-06-06 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
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7KID
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 72 | | Descriptor: | (1S,2R,3aR,4S,6aR)-4-[(2-amino-3,5-difluoroquinolin-7-yl)methyl]-2-(4-amino-5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydropentalene-1,6a(1H)-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIC
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 34 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, Methylosome protein 50, ... | | Authors: | Palte, R.L. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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7KIB
 | | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Palte, R.L, Hayes, R.P. | | Deposit date: | 2020-10-23 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 64, 2021
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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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7LSW
 | | Structure of Full Beta-Hairpin LIR from FNIP2 Bound to GABARAP | | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein, SULFATE ION | | Authors: | Appleton, B.A. | | Deposit date: | 2021-02-18 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
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7LT6
 | | Structure of Partial Beta-Hairpin LIR from FNIP2 Bound to GABARAP | | Descriptor: | Folliculin-interacting protein 2,Gamma-aminobutyric acid receptor-associated protein | | Authors: | Appleton, B.A. | | Deposit date: | 2021-02-18 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | GABARAP sequesters the FLCN-FNIP tumor suppressor complex to couple autophagy with lysosomal biogenesis.
Sci Adv, 7, 2021
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5U8F
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-14 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.343 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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5U69
 | | Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine | | Descriptor: | (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Zhu, H. | | Deposit date: | 2016-12-07 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.
Bioorg. Med. Chem. Lett., 27, 2017
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3JTY
 | | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | | Descriptor: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | | Authors: | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
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1XM5
 | | Crystal structure of metal-dependent hydrolase ybeY from E. coli, Pfam UPF0054 | | Descriptor: | Hypothetical UPF0054 protein ybeY, NICKEL (II) ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Shi, W, Ramagopal, U.A, Thirumuruhan, R, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2004-10-01 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The ybeY protein from Escherichia coli is a metalloprotein.
Acta Crystallogr.,Sect.F, 61, 2005
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3N5U
 | | Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1 | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Retinoblastoma-associated protein, ... | | Authors: | Hirschi, A.M, Cecchini, M, Steinhardt, R.C, Dick, F.A, Rubin, S.M. | | Deposit date: | 2010-05-25 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.
Nat.Struct.Mol.Biol., 17, 2010
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2R0B
 | | Crystal structure of human tyrosine phosphatase-like serine/threonine/tyrosine-interacting protein | | Descriptor: | GLYCEROL, SULFATE ION, Serine/threonine/tyrosine-interacting protein | | Authors: | Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-08-18 | | Release date: | 2007-08-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2QJC
 | | Crystal structure of a putative diadenosine tetraphosphatase | | Descriptor: | Diadenosine tetraphosphatase, putative, MANGANESE (II) ION, ... | | Authors: | Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-07-06 | | Release date: | 2007-07-24 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2Q5E
 | | Crystal structure of human carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2 | | Descriptor: | Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 2, MAGNESIUM ION | | Authors: | Bonanno, J.B, Dickey, M, Bain, K.T, Lau, C, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-05-31 | | Release date: | 2007-06-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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