5T92
 
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | | Descriptor: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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5T97
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Descriptor: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C.A, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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7DYS
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4XIC
 | | ANTPHD WITH 15BP di-thioate modified DNA DUPLEX | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ... | | Authors: | White, M.A, Zandarashvili, L, Iwahara, J. | | Deposit date: | 2015-01-06 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
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7V47
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7V48
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6PCL
 | | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 5-IP7 | | Descriptor: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | | Deposit date: | 2019-06-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6B4M
 | | Structural characterization of a novel monotreme-specific protein from the milk of the platypus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, IODIDE ION, ... | | Authors: | Peat, T.S, Newman, J, Sharp, J.A, Kumar, A, Nicholas, K.R, Adams, T.E. | | Deposit date: | 2017-09-27 | | Release date: | 2018-01-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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4Y2I
 | | Gold ion bound to GolB | | Descriptor: | GOLD ION, Putative metal-binding transport protein | | Authors: | Wei, W, Wang, F, Ma, L, Zhao, J. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
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4Y31
 | | Crystal structure of yellow lupine LlPR-10.1A protein in ligand-free form | | Descriptor: | ACETATE ION, Protein LlR18A | | Authors: | Sliwiak, J, Michalska, K, Sikorski, M.M, Jaskolski, M. | | Deposit date: | 2015-02-10 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein.
J.Struct.Biol., 193, 2016
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4XA8
 | | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2 | | Descriptor: | D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding | | Authors: | Handing, K.B, Gasiorowska, O.A, Shabalin, I.G, Cymborowski, M.T, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-12-12 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of D-isomer specific 2-hydroxyacid dehydrogenase from Xanthobacter autotrophicus Py2.
to be published
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6P48
 | | Cryo-EM structure of calcium-bound TMEM16F in nanodisc with supplement of PIP2 in Cl1 | | Descriptor: | Anoctamin-6, CALCIUM ION | | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | | Deposit date: | 2019-05-26 | | Release date: | 2019-07-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
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7V49
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4XDW
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH | | Descriptor: | Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-20 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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6PI5
 | | The evolving story of AtzT, a periplasmic binding protein | | Descriptor: | Atrazine periplasmic binding protein, DIMETHYL SULFOXIDE, GUANINE | | Authors: | Peat, T.S, Newman, J, Scott, C, Esquirol, L, Dennis, M, Nebl, T. | | Deposit date: | 2019-06-26 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The evolving story of AtzT, a periplasmic binding protein.
Acta Crystallogr D Struct Biol, 75, 2019
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1DRH
 | | ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, 5-DEAZAFOLATE AND 5,10-DIDEAZATETRAHYDROFOLATE: MECHANISTIC IMPLICATIONS | | Descriptor: | DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Sawaya, M.R, Kraut, J. | | Deposit date: | 1994-11-30 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Isomorphous crystal structures of Escherichia coli dihydrofolate reductase complexed with folate, 5-deazafolate, and 5,10-dideazatetrahydrofolate: mechanistic implications.
Biochemistry, 34, 1995
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4LB9
 | | X-ray study of human serum albumin complexed with etoposide | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C. | | Deposit date: | 2013-06-20 | | Release date: | 2013-07-24 | | Last modified: | 2014-02-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
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4XOB
 | | Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside | | Descriptor: | FimF, Protein FimH, SULFATE ION, ... | | Authors: | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.003 Å) | | Cite: | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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6B3Y
 | | Crystal structure of the PH-like domain from DENND3 | | Descriptor: | DENN domain-containing protein 3 | | Authors: | Kozlov, G, Xu, J, Menade, M, Beaugrand, M, Pan, T, McPherson, P.S, Gehring, K. | | Deposit date: | 2017-09-25 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | A PH-like domain of the Rab12 guanine nucleotide exchange factor DENND3 binds actin and is required for autophagy.
J. Biol. Chem., 293, 2018
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4XOA
 | | Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1 | | Descriptor: | FimG, Protein FimH | | Authors: | Jakob, R.P, Eras, J, Glockshuber, R, Maier, T. | | Deposit date: | 2015-01-16 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.541 Å) | | Cite: | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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4LFH
 | | Crystal Structure of 9C2 TCR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9C2 TCR delta chain, 9C2 TCR gamma chain, ... | | Authors: | Uldrich, A.P, Le Nours, J, Pellicci, D.G, Gras, S, Rossjohn, J, Godfrey, D.I. | | Deposit date: | 2013-06-26 | | Release date: | 2013-10-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | CD1d-lipid antigen recognition by the gamma delta TCR.
Nat.Immunol., 14, 2013
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7EJH
 | | Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F and 2-hydroxyisoindoline-1,3-dione complex | | Descriptor: | 2-oxidanylisoindole-1,3-dione, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72883928 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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8QV0
 | | Structure of the native microtubule lattice nucleated from the yeast spindle pole body | | Descriptor: | Tubulin alpha-1 chain, Tubulin beta chain | | Authors: | Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D. | | Deposit date: | 2023-10-17 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 2024
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7EJJ
 | | Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex | | Descriptor: | 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.80000663 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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7EJI
 | | Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ... | | Authors: | Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.560016 Å) | | Cite: | Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
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