4UDD
 
 | | GR in complex with desisobutyrylciclesonide | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... | | 著者 | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | 登録日 | 2014-12-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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4UFN
 | | Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | | 著者 | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | | 登録日 | 2015-03-17 | | 公開日 | 2016-04-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1.
Org.Biomol.Chem., 14, 2016
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6RY1
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1C0N
 | | CSDB PROTEIN, NIFS HOMOLOGUE | | 分子名称: | ACETIC ACID, PROTEIN (CSDB PROTEIN), PYRIDOXAL-5'-PHOSPHATE | | 著者 | Fujii, T, Maeda, M, Mihara, H, Kurihara, T, Esaki, N, Hata, Y. | | 登録日 | 1999-07-17 | | 公開日 | 2000-07-17 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of a NifS homologue: X-ray structure analysis of CsdB, an Escherichia coli counterpart of mammalian selenocysteine lyase
Biochemistry, 39, 2000
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4UDC
 | | GR in complex with dexamethasone | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ... | | 著者 | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | 登録日 | 2014-12-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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8ZMU
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8IBM
 | | Sulfate bound form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation | | 分子名称: | Alpha/beta hydrolase family protein, CALCIUM ION, SULFATE ION | | 著者 | Emori, M, Numoto, N, Kamiya, N, Oda, M. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Improvement of thermostability and activity of PET-degrading enzyme Cut190 towards a detailed understanding and application of the enzymatic reaction mechanism.
Biorxiv, 2023
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8IBL
 | | MES bound form of PET-degrading cutinase Cut190 with thermostability-improving mutations of S226P/R228S/Q138A/D250C-E296C/Q123H/N202H and S176A inactivation | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha/beta hydrolase family protein, CALCIUM ION, ... | | 著者 | Emori, M, Numoto, N, Kamiya, N, Oda, M. | | 登録日 | 2023-02-10 | | 公開日 | 2023-03-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Improvement of thermostability and activity of PET-degrading enzyme Cut190 towards a detailed understanding and application of the enzymatic reaction mechanism.
Biorxiv, 2023
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6S4G
 | | Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP | | 分子名称: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ruggieri, F, Campillo Brocal, J.C, Humble, M.S, Walse, B, Logan, D.T, Berglund, P. | | 登録日 | 2019-06-27 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase.
Sci Rep, 9, 2019
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4UDA
 | | MR in complex with dexamethasone | | 分子名称: | DEXAMETHASONE, GLYCEROL, MINERALOCORTICOID RECEPTOR, ... | | 著者 | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | 登録日 | 2014-12-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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7ZJW
 | | Rabbit 80S ribosome as it decodes the Sec-UGA codon | | 分子名称: | 18S rRNA, 28S rRNA, 40S Ribosomal protein eS19, ... | | 著者 | Hilal, T, Simonovic, M, Spahn, C.M.T. | | 登録日 | 2022-04-12 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structure of the mammalian ribosome as it decodes the selenocysteine UGA codon.
Science, 376, 2022
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4UEU
 | | Tyrosine kinase AS - a common ancestor of Src and Abl | | 分子名称: | PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, TYROSINE KINASE AS - A COMMON ANCESTOR OF SRC AND ABL | | 著者 | Kutter, S, Wilson, C, Agafonov, R.V, Hoemberger, M.S, Zorba, A, Halpin, J.C, Theobald, D.L, Kern, D. | | 登録日 | 2014-12-18 | | 公開日 | 2015-02-18 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Kinase Dynamics. Using Ancient Protein Kinases to Unravel a Modern Cancer Drug'S Mechanism.
Science, 347, 2015
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6ZDV
 | | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with Chromone 5d | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | 著者 | Verdon, G, Jespers, W, Azuaje, J, Majellaro, M, Keranen, H, Garcia-mera, X, Congreve, M, Deflorian, F, de Graaf, C, Zhukov, A, Dore, A, Mason, J, Aqvist, J, Cooke, R, Sotelo, E, Gutierrez-de-Teran, H. | | 登録日 | 2020-06-15 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A 2A Adenosine Receptor Antagonists.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8A4T
 | | crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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7ZX0
 | | Crystal structure of Pol theta polymerase domain in complex with compound 5 | | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-19 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZUS
 | | Crystal structure of ternary complex of Pol theta polymerase domain | | 分子名称: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ... | | 著者 | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | 登録日 | 2022-05-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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8A4Q
 | | crystal structures of diastereomer (R,S,S)-13b (13b-H) in complex with the SARS-CoV-2 Mpro. | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Ibrahim, M, Hilgenfeld, R, Zhang, L. | | 登録日 | 2022-06-13 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease.
J.Med.Chem., 65, 2022
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6R02
 | | Psychrobacter arcticus ATP phosphoribosyltransferase bound to histidine and PRPP | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | | 著者 | Alphey, M.S, da Silva, R.G, Thomson, C.M. | | 登録日 | 2019-03-12 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Mapping the Structural Path for Allosteric Inhibition of a Short-Form ATP Phosphoribosyltransferase by Histidine.
Biochemistry, 58, 2019
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6QSC
 | | Crystal Structure of Arg470His mutant of Human Prolidase with Mn ions and GlyPro ligand | | 分子名称: | GLYCEROL, GLYCINE, MANGANESE (II) ION, ... | | 著者 | Wilk, P, Wator, E, Weiss, M.S. | | 登録日 | 2019-02-20 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.569 Å) | | 主引用文献 | Structural analysis of new compound heterozygous variants in PEPD gene identified in a patient with Prolidase Deficiency diagnosed by exome sequencing.
Genet Mol Biol, 44, 2021
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6I1M
 | | Secreted type 1 cystatin from Fasciola hepatica | | 分子名称: | Cystatin, IODIDE ION | | 著者 | Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M. | | 登録日 | 2018-10-29 | | 公開日 | 2020-08-26 | | 最終更新日 | 2023-03-29 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily.
J.Biol.Chem., 299, 2023
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8H3T
 | | The crystal structure of AlpH | | 分子名称: | AlpH, GLYCEROL | | 著者 | Zhao, Y, Li, M, Jiang, M, Pan, L.F. | | 登録日 | 2022-10-09 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | | 主引用文献 | O-methyltransferase-like enzyme catalyzed diazo installation in polyketide biosynthesis.
Nat Commun, 14, 2023
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7ZRV
 | | cryo-EM structure of omicron spike in complex with de novo designed binder, full map | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ... | | 著者 | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | | 登録日 | 2022-05-05 | | 公開日 | 2023-03-08 | | 最終更新日 | 2023-05-24 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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3CLL
 | | Crystal structure of the Spinach Aquaporin SoPIP2;1 S115E mutant | | 分子名称: | Aquaporin | | 著者 | Nyblom, M, Alfredsson, A, Hallgren, K, Hedfalk, K, Neutze, R, Trnroth-Horsefield, S. | | 登録日 | 2008-03-19 | | 公開日 | 2009-02-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating.
J.Mol.Biol., 387, 2009
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3CM7
 | | Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 | | 分子名称: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide, Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Mastrangelo, E, Cossu, F, Milani, M. | | 登録日 | 2008-03-21 | | 公開日 | 2008-10-28 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
J.Mol.Biol., 384, 2008
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6TOQ
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