5EQ2
 
 | | Crystal Structure of the SrpA Adhesin from Streptococcus sanguinis | | Descriptor: | ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein | | Authors: | Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
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6U31
 | | The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4 | | Descriptor: | 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | | Deposit date: | 2019-08-21 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.578 Å) | | Cite: | To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme.
Inorg.Chem., 61, 2022
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5EQ3
 | | Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound | | Descriptor: | ACETATE ION, CALCIUM ION, N-glycolyl-alpha-neuraminic acid-(2-3)-methyl beta-D-galactopyranoside, ... | | Authors: | Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M. | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
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5EPL
 | | Crystal Structure of chromodomain of CBX4 in complex with inhibitor UNC3866 | | Descriptor: | E3 SUMO-protein ligase CBX4, UNKNOWN ATOM OR ION, unc3866 | | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-11 | | Release date: | 2015-12-23 | | Last modified: | 2019-11-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A cellular chemical probe targeting the chromodomains of Polycomb repressive complex 1.
Nat.Chem.Biol., 12, 2016
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6DJP
 | | Integrin alpha-v beta-8 in complex with the Fabs 8B8 and 68 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 68 heavy chain Fab, ... | | Authors: | Cormier, A, Campbell, M.G, Nishimura, S.L, Cheng, Y. | | Deposit date: | 2018-05-25 | | Release date: | 2018-07-25 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cryo-EM structure of the alpha v beta 8 integrin reveals a mechanism for stabilizing integrin extension.
Nat. Struct. Mol. Biol., 25, 2018
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2TAA
 | | STRUCTURE AND POSSIBLE CATALYTIC RESIDUES OF TAKA-AMYLASE A | | Descriptor: | CALCIUM ION, TAKA-AMYLASE A | | Authors: | Kusunoki, M, Matsuura, Y, Tanaka, N, Kakudo, M. | | Deposit date: | 1982-10-18 | | Release date: | 1982-10-21 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and possible catalytic residues of Taka-amylase A
J.Biochem.(Tokyo), 95, 1984
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7QWY
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 61 | | Descriptor: | 1-[4-ethyl-2-methyl-5-[2-(piperazin-1-ylmethyl)-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-01-26 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.443 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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2PD9
 | | Human aldose reductase mutant V47I complexed with fidarestat. | | Descriptor: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-03-31 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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2PDB
 | | Human aldose reductase mutant F121P complexed with zopolrestat. | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-03-31 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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8TNR
 | | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2 | | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8TNP
 | | Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40 | | Descriptor: | DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8TNQ
 | | Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1 | | Descriptor: | 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ... | | Authors: | Roy Burman, S.S, Hunkeler, M, Fischer, E.S. | | Deposit date: | 2023-08-02 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (2.41 Å) | | Cite: | Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
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8J3S
 | | Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand | | Descriptor: | Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY | | Authors: | Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y. | | Deposit date: | 2023-04-18 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.
Acs Med.Chem.Lett., 14, 2023
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7AML
 | | RET/GDNF/GFRa1 extracellular complex Cryo-EM structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha, ... | | Authors: | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | | Deposit date: | 2020-10-09 | | Release date: | 2021-01-13 | | Last modified: | 2021-07-14 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
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4WMS
 | | STRUCTURE OF APO MBP-MCL1 AT 1.9A | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Clifton, M.C, Dranow, D.M. | | Deposit date: | 2014-10-09 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015
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5LKS
 | | Structure-function insights reveal the human ribosome as a cancer target for antibiotics | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P. | | Deposit date: | 2016-07-23 | | Release date: | 2017-04-26 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure-function insights reveal the human ribosome as a cancer target for antibiotics.
Nat Commun, 7, 2016
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2FOB
 | | Structure of porcine pancreatic elastase in 40/50/10 cyclohexane | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOA
 | | Structure of porcine pancreatic elastase in 40/50/10 % benzene | | Descriptor: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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3C8Z
 | | The 1.6 A Crystal Structure of MshC: The Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-O-(N-(L-CYSTEINYL)-SULFAMOYL)ADENOSINE, Cysteinyl-tRNA synthetase, ... | | Authors: | Tremblay, L.W, Fan, F, Vetting, M.W, Blanchard, J.S. | | Deposit date: | 2008-02-14 | | Release date: | 2008-12-30 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A crystal structure of Mycobacterium smegmatis MshC: the penultimate enzyme in the mycothiol biosynthetic pathway.
Biochemistry, 47, 2008
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2FO9
 | | Structure of porcine pancreatic elastase in 95% acetone | | Descriptor: | ACETONE, CALCIUM ION, SULFATE ION, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOH
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | Descriptor: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | Authors: | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2006-01-13 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FVJ
 | | A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro | | Descriptor: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ... | | Authors: | Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M. | | Deposit date: | 2006-01-31 | | Release date: | 2006-05-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
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2FRI
 | | Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized | | Descriptor: | Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B. | | Deposit date: | 2006-01-19 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
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7R0B
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 47 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.345 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7AMK
 | | Zebrafish RET Cadherin Like Domains 1 to 4. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Purkiss, A.G, McDonald, N.Q, Goodman, K.M, Narowtek, A, Knowles, P.P. | | Deposit date: | 2020-10-09 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
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