6DF8
 
 | | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS), pH 6.5 | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ... | | Authors: | Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E. | | Deposit date: | 2018-05-14 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.536 Å) | | Cite: | A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
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6BKJ
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1NAK
 | | IGG1 FAB FRAGMENT (83.1) COMPLEX WITH 16-RESIDUE PEPTIDE (RESIDUES 304-321 OF HIV-1 GP120 (MN ISOLATE)) | | Descriptor: | Fab 83.1 - heavy chain, Fab 83.1 - light chain, Peptide MP1 | | Authors: | Stanfield, R.L, Ghiara, J.B, Saphire, E.O, Profy, A.T, Wilson, I.A. | | Deposit date: | 2002-11-27 | | Release date: | 2003-11-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Recurring conformation of the human immunodeficiency virus type 1 gp120 V3 loop.
Virology, 315, 2003
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6ASP
 | | Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endoplasmin, GLYCEROL, ... | | Authors: | Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2017-08-25 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
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6E13
 | | Pseudomonas putida PqqB with a non-physiological zinc at the active site binds the substrate mimic, 5-cysteinyl-3,4-dihydroxyphenylalanine (5-Cys-DOPA), non-specifically but supports the proposed function of the enzyme in pyrroloquinoline quinone biosynthesis. | | Descriptor: | 3-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine, CHLORIDE ION, Coenzyme PQQ synthesis protein B, ... | | Authors: | Evans III, R.L, Wilmot, C.M. | | Deposit date: | 2018-07-09 | | Release date: | 2019-05-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.349 Å) | | Cite: | Discovery of Hydroxylase Activity for PqqB Provides a Missing Link in the Pyrroloquinoline Quinone Biosynthetic Pathway.
J.Am.Chem.Soc., 141, 2019
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6E12
 | | Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141 | | Descriptor: | Alr8543 protein, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Xiao, R, Ciccosanti, C, Patel, D, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2018-07-09 | | Release date: | 2018-07-25 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Alr8543 protein in complex with Oleic Acid and magnesium ion from Nostoc sp. PCC 7120, Northeast Structural Genomics Consortium Target NsR141
To Be Published
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1NAL
 | | THE THREE-DIMENSIONAL STRUCTURE OF N-ACETYLNEURAMINATE LYASE FROM ESCHERICHIA COLI | | Descriptor: | N-ACETYLNEURAMINATE LYASE, SULFATE ION | | Authors: | Izard, T, Lawrence, M.C, Malby, R.L, Lilley, G.G, Colman, P.M. | | Deposit date: | 1994-02-28 | | Release date: | 1995-09-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The three-dimensional structure of N-acetylneuraminate lyase from Escherichia coli.
Structure, 2, 1994
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1N26
 | | Crystal Structure of the extra-cellular domains of Human Interleukin-6 Receptor alpha chain | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Varghese, J.N, Moritz, R.L, Lou, M.-Z, van Donkelaar, A, Ji, H, Ivancic, N, Branson, K.M, Hall, N.E, Simpson, R.J. | | Deposit date: | 2002-10-22 | | Release date: | 2002-12-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the extracellular domains of the human interleukin-6 receptor alpha-chain.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1NLI
 | | Complex of [E160A-E189A] trichosanthin and adenine | | Descriptor: | ADENINE, Ribosome-inactivating protein alpha-trichosanthin | | Authors: | Shaw, P.C, Wong, K.B, Chan, D.S.B, Williams, R.L. | | Deposit date: | 2003-01-07 | | Release date: | 2003-01-21 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural basis for the interaction of [E160A-E189A]-trichosanthin with adenine.
Toxicon, 41, 2003
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1NDE
 | | Estrogen Receptor beta with Selective Triazine Modulator | | Descriptor: | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta | | Authors: | Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H. | | Deposit date: | 2002-12-09 | | Release date: | 2002-12-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta
J.Med.Chem., 45, 2002
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6E3C
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1KN3
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6ASQ
 | | Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor | | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, Endoplasmin, ... | | Authors: | Huard, D.J.E, Lieberman, R.L. | | Deposit date: | 2017-08-25 | | Release date: | 2018-04-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Trifunctional High-Throughput Screen Identifies Promising Scaffold To Inhibit Grp94 and Treat Myocilin-Associated Glaucoma.
ACS Chem. Biol., 13, 2018
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6AZ0
 | | Mitochondrial ATPase Protease YME1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Puchades, C, Rampello, A.J, Shin, M, Giuliano, C, Wiseman, R.L, Glynn, S.E, Lander, G.C. | | Deposit date: | 2017-09-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the mitochondrial inner membrane AAA+ protease YME1 gives insight into substrate processing.
Science, 358, 2017
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1NHK
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6BU7
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD130 1-[2-(Piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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1MLV
 | | Structure and Catalytic Mechanism of a SET Domain Protein Methyltransferase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ribulose-1,5 biphosphate carboxylase/oxygenase large subunit N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Trievel, R.C, Beach, B.M, Dirk, L.M.A, Houtz, R.L, Hurley, J.H. | | Deposit date: | 2002-08-30 | | Release date: | 2002-10-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and catalytic mechanism of a SET domain protein methyltransferase.
Cell(Cambridge,Mass.), 111, 2002
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6BTL
 | | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor RD117 1-[2-(Piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole | | Descriptor: | 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Bryson, S, De Gasparo, R, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | | Deposit date: | 2017-12-06 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.
ChemMedChem, 13, 2018
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1O5E
 | | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | | Deposit date: | 2003-09-09 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
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1NSK
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1NND
 | | Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase | | Descriptor: | Reverse Transcriptase | | Authors: | Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M. | | Deposit date: | 2003-01-13 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase
Proteins, 57, 2004
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1NWE
 | | Ptp1B R47C Modified at C47 with N-[4-(2-{2-[3-(2-Bromo-acetylamino)-propionylamino]-3-hydroxy-propionylamino}-ethyl)-phenyl]-oxalamic acid | | Descriptor: | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Erlanson, D.A, McDowell, R.S, He, M.M, Randal, M, Simmons, R.L, Kung, J, Waight, A, Hansen, S.K. | | Deposit date: | 2003-02-06 | | Release date: | 2003-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of a New Phosphotyrosine Mimetic for PTP1B Using Breakaway Tethering
J.Am.Chem.Soc., 125, 2003
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1O0V
 | | The crystal structure of IgE Fc reveals an asymmetrically bent conformation | | Descriptor: | GLYCEROL, Immunoglobulin heavy chain epsilon-1, SULFATE ION, ... | | Authors: | Wan, T, Beavil, R.L, Fabiane, S.M, Beavil, A.J, Sohi, M.K, Keown, M, Young, R.J, Henry, A.J, Owens, R.J, Gould, H.J, Sutton, B.J. | | Deposit date: | 2002-09-06 | | Release date: | 2002-09-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of IgE Fc reveals an asymmetrically bent conformation
NAT.IMMUNOL., 3, 2002
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1KPP
 | | Structure of the Tsg101 UEV domain | | Descriptor: | Tumor susceptibility gene 101 protein | | Authors: | Pornillos, O, Alam, S.L, Rich, R.L, Myszka, D.G, Davis, D.R, Sundquist, W.I. | | Deposit date: | 2002-01-02 | | Release date: | 2002-05-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and functional interactions of the Tsg101 UEV domain.
EMBO J., 21, 2002
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1KQC
 | | Structure of Nitroreductase from E. cloacae Complex with Inhibitor Acetate | | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | | Deposit date: | 2002-01-04 | | Release date: | 2002-02-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of nitroreductase in three states: effects of inhibitor binding and reduction.
J.Biol.Chem., 277, 2002
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