4ZAO
 
 | | Genetically engineered Carbonic anhydrase IX | | 分子名称: | Carbonic anhydrase 2, ZINC ION | | 著者 | Pinard, M.A, Aggarwal, M. | | 登録日 | 2015-04-13 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4S2U
 | | Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli | | 分子名称: | MAGNESIUM ION, Ribose-phosphate pyrophosphokinase | | 著者 | Timofeev, V.I, Abramchik, Y.A, Muravieva, T.I, Iaroslavtceva, A.K, Stepanenko, V.N, Zhukhlistova, N.E, Esipov, R.S, Kuranova, I.P. | | 登録日 | 2015-01-23 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Crystal structure of the Phosphorybosylpyrophosphate synthetase from E. Coli
To be Published
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6VBA
 | | Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA) | | 分子名称: | 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase | | 著者 | Moiani, D, Arvai, A.S, Tainer, J.A. | | 登録日 | 2019-12-18 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation.
Prog.Biophys.Mol.Biol., 163, 2021
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2BO4
 | | Dissection of mannosylglycerate synthase: an archetypal mannosyltransferase | | 分子名称: | CITRATE ANION, MANNOSYLGLYCERATE SYNTHASE | | 著者 | Flint, J, Taylor, E, Yang, M, Bolam, D.N, Tailford, L.E, Martinez-Fleites, C, Dodson, E.J, Davis, B.G, Gilbert, H.J, Davies, G.J. | | 登録日 | 2005-04-07 | | 公開日 | 2005-06-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structural Dissection and High-Throughput Screening of Mannosylglyceerate Synthase
Nat.Struct.Mol.Biol., 12, 2005
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7TUR
 | | Joint X-ray/neutron structure of aspastate aminotransferase (AAT) in complex with pyridoxamine 5'-phosphate (PMP) | | 分子名称: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ... | | 著者 | Drago, V.N, Kovalevsky, A.Y, Dajnowicz, S, Mueser, T.C. | | 登録日 | 2022-02-03 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | 主引用文献 | An N⋯H⋯N low-barrier hydrogen bond preorganizes the catalytic site of aspartate aminotransferase to facilitate the second half-reaction.
Chem Sci, 13, 2022
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4TU3
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6DJJ
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ532 | | 分子名称: | 1,2-ETHANEDIOL, 4-aminobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-05-25 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.741 Å) | | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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7T64
 | | Rabbit RyR1 disease mutant Y523S in complex with FKBP12.6 embedded in lipidic nanodisc in the closed state | | 分子名称: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION | | 著者 | Iyer, K.A, Hu, Y, Murayama, T, Samso, M. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Molecular mechanism of the severe MH/CCD mutation Y522S in skeletal ryanodine receptor (RyR1) by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5AIB
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 6-chloro-2H-1,4-benzoxazin-3(4H)-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-02-12 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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4RQ8
 | | Human DNA Polymerase Beta With Gapped DNA Containing an 8-oxo-7,8-dihydro-Guanine(8-oxoG) and dATP soaked with MnCl2 for 35 s | | 分子名称: | ACETATE ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Vyas, R, Reed, A.J, Suo, Z. | | 登録日 | 2014-10-31 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Viewing Human DNA Polymerase beta Faithfully and Unfaithfully Bypass an Oxidative Lesion by Time-Dependent Crystallography.
J.Am.Chem.Soc., 137, 2015
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7T65
 | | Rabbit RyR1 disease mutant Y523S in complex with FKBP12.6 embedded in lipidic nanodisc in the open state | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | 著者 | Iyer, K.A, Hu, Y, Murayama, T, Samso, M. | | 登録日 | 2021-12-13 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (4.05 Å) | | 主引用文献 | Molecular mechanism of the severe MH/CCD mutation Y522S in skeletal ryanodine receptor (RyR1) by cryo-EM.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5ALF
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALL
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, SULFATE ION, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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6DMY
 | | Cryo-EM structure of human Ptch1 and ShhN complex | | 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, CALCIUM ION, ... | | 著者 | Yan, N, Gong, X, Qian, H.W. | | 登録日 | 2018-06-05 | | 公開日 | 2018-07-11 | | 最終更新日 | 2025-05-14 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
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6VKV
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5A4K
 | | Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | 著者 | Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P. | | 登録日 | 2015-06-10 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.093 Å) | | 主引用文献 | Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
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6VL8
 | | Anti-PEG antibody 6-3 Fab fragment in complex with PEG | | 分子名称: | 1,2-ETHANEDIOL, 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 6-3 Fab heavy chain, ... | | 著者 | Nicely, N.I, Huckaby, J.T, Lai, S.K, Jacobs, T.M. | | 登録日 | 2020-01-23 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structure of an anti-PEG antibody reveals an open ring that captures highly flexible PEG polymers
Commun Chem, 3, 2020
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6VMB
 | | Chloroplast ATP synthase (C1, CF1FO) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | | 著者 | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | | 登録日 | 2020-01-27 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (5.23 Å) | | 主引用文献 | Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | 登録日 | 2015-04-17 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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6VOG
 | | Chloroplast ATP synthase (O2, CF1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | | 著者 | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | | 登録日 | 2020-01-30 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (4.35 Å) | | 主引用文献 | Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
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6DQN
 | | Class 1 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | | 著者 | Hite, R.K, Paknejad, N. | | 登録日 | 2018-06-11 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.33 Å) | | 主引用文献 | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
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4HFN
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6VIM
 | | P. putida mandelate racemase co-crystallized with phenylboronic acid | | 分子名称: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mandelate racemase, ... | | 著者 | Grandinetti, L, Sharma, A.N, Bearne, S.L, St Maurice, M. | | 登録日 | 2020-01-13 | | 公開日 | 2020-08-05 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent Inhibition of Mandelate Racemase by Boronic Acids: Boron as a Mimic of a Carbon Acid Center.
Biochemistry, 59, 2020
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7R81
 | | Structure of the translating Neurospora crassa ribosome arrested by cycloheximide | | 分子名称: | 18S rRNA, 26S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | 著者 | Shen, L, Su, Z, Yang, K, Wu, C, Becker, T, Bell-Pedersen, D, Zhang, J, Sachs, M.S. | | 登録日 | 2021-06-25 | | 公開日 | 2021-12-01 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure of the translating Neurospora ribosome arrested by cycloheximide
Proc.Natl.Acad.Sci.USA, 118, 2021
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6YKQ
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11c | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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