4X6U
 
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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4X7B
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-09 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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4X7X
 | | MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin | | Descriptor: | 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal, MAGNESIUM ION, Mycinamicin III 3''-O-methyltransferase, ... | | Authors: | Bernard, S.M, Smith, J.L. | | Deposit date: | 2014-12-09 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis of Substrate Specificity and Regiochemistry in the MycF/TylF Family of Sugar O-Methyltransferases.
Acs Chem.Biol., 10, 2015
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4X85
 | | Crystal Structure of lipase from Geobacillus stearothermophilus T6 methanol stable variant H86Y/A269T/R374W | | Descriptor: | CALCIUM ION, Lipase, ZINC ION | | Authors: | Kanteev, M, Dror, A, Gihaz, S, Fishman, A. | | Deposit date: | 2014-12-10 | | Release date: | 2015-06-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Structural insights into methanol-stable variants of lipase T6 from Geobacillus stearothermophilus.
Appl.Microbiol.Biotechnol., 99, 2015
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6KAV
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 140 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5DW2
 | | X-ray crystal structure of human BRD4(BD1) in complex with RVX297 to 1.12 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | White, A, Fontano, E, Suto, R.K. | | Deposit date: | 2015-09-22 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains.
Biochem.Biophys.Res.Commun., 477, 2016
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6Q5H
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24D | | Descriptor: | AMMONIUM ION, CC-Hex*-L24D, SULFATE ION | | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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6Q5K
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24K | | Descriptor: | AMMONIUM ION, CC-Hex*-L24K, GLYCEROL, ... | | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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2XDW
 | | Inhibition of Prolyl Oligopeptidase with a Synthetic Unnatural Dipeptide | | Descriptor: | GLYCEROL, Prolyl endopeptidase, SYNTHETIC PEPTIDE PHQ-PRO-YCP, ... | | Authors: | Racys, D.T, Rea, D, Fulop, V, Wills, M. | | Deposit date: | 2010-05-09 | | Release date: | 2010-06-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inhibition of Prolyl Oligopeptidase with a Synthetic Unnatural Dipeptide
Bioorg.Med.Chem., 18, 2010
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6Q5Q
 | | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex-KgEb | | Descriptor: | CC-Hex-KgEb, L(+)-TARTARIC ACID | | Authors: | Zaccai, N.R, Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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5NTT
 | | Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715 | | Descriptor: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE | | Authors: | Hiruma, Y, Joosten, R.P, Perrakis, A. | | Deposit date: | 2017-04-28 | | Release date: | 2017-07-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
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6KAP
 | | Carbonmonoxy human hemoglobin C in the R quaternary structure at 95 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-23 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAT
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Light | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KM1
 | | Human Carbonic Anhydrase II V143I variant 13 atm CO2 | | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | | Authors: | Kim, C.U, Kim, J.K. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
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4X7Y
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5VWD
 | | HLA-B*57:03 presenting LTVQVARVW | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, Noamer peptide: LEU-THR-VAL-GLN-VAL-ALA-ARG-VAL-TRP | | Authors: | Pymm, P, Rossjohn, J, Vivian, J.P. | | Deposit date: | 2017-05-21 | | Release date: | 2018-10-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome.
Nat Commun, 9, 2018
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1DSF
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5EB6
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6KLZ
 | | Human Carbonic Anhydrase II V143I variant 00 atm CO2 | | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Kim, C.U, Kim, J.K. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
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6KM5
 | | Human Carbonic Anhydrase II native 13 atm CO2 | | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Kim, C.U, Kim, J.K. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.151 Å) | | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
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5VY5
 | | Rabbit muscle aldolase using 200keV | | Descriptor: | Fructose-bisphosphate aldolase A | | Authors: | Herzik Jr, M.A, Wu, M, Lander, G.C. | | Deposit date: | 2017-05-24 | | Release date: | 2017-06-14 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Achieving better-than-3- angstrom resolution by single-particle cryo-EM at 200 keV.
Nat. Methods, 14, 2017
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1RG8
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4WVS
 | | Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid | | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | | Authors: | Pokross, M.E. | | Deposit date: | 2014-11-07 | | Release date: | 2015-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity.
J.Med.Chem., 58, 2015
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6KAI
 | | Crosslinked alpha(Ni)-beta(Fe) human hemoglobin A in the T quaternary structure at 95 K: Light | | Descriptor: | BUT-2-ENEDIAL, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-23 | | Release date: | 2020-02-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6KAS
 | | Carbonmonoxy human hemoglobin A in the R2 quaternary structure at 95 K: Dark | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Shibayama, N, Park, S.Y, Ohki, M, Sato-Tomita, A. | | Deposit date: | 2019-06-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Direct observation of ligand migration within human hemoglobin at work.
Proc.Natl.Acad.Sci.USA, 117, 2020
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