5K7R
 
 | | MicroED structure of trypsin at 1.7 A resolution | | 分子名称: | CALCIUM ION, Cationic trypsin | | 著者 | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | | 登録日 | 2016-05-26 | | 公開日 | 2017-04-05 | | 最終更新日 | 2018-08-22 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.7 Å) | | 主引用文献 | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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7AI0
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6QAH
 | | ERK2 mini-fragment binding | | 分子名称: | 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6GG6
 | | Crystal structure of M2 PYK in complex with Serine. | | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | McNae, I.W, Yuan, M, Walkinshaw, M.D. | | 登録日 | 2018-05-02 | | 公開日 | 2018-05-23 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
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6WH9
 | | Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10 | | 分子名称: | 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ... | | 著者 | Cogan, D.P, Mathews, I.I, Khosla, C. | | 登録日 | 2020-04-07 | | 公開日 | 2020-09-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
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7ZKT
 | | Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine | | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, LYSINE, ... | | 著者 | Morera, S, Kopecny, D, Vigouroux, A, Briozzo, P. | | 登録日 | 2022-04-13 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize.
Plant J., 114, 2023
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7NSP
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5A0A
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | | 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 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 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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3I3D
 | | E. COLI (lacZ) BETA-GALACTOSIDASE (M542A) IN COMPLEX WITH IPTG | | 分子名称: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | 著者 | Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E. | | 登録日 | 2009-06-30 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli).
Biochem.Cell Biol., 88, 2010
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6WU1
 | | Structure of apo LaINDY | | 分子名称: | DASS family sodium-coupled anion symporter, DECANE, HEXANE, ... | | 著者 | Sauer, D.B, Marden, J.J, Cocco, N.C, Song, J.M, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS) | | 登録日 | 2020-05-04 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | | 主引用文献 | Structural basis for the reaction cycle of DASS dicarboxylate transporters.
Elife, 9, 2020
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6Q7S
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, PHENOL, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-13 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QEI
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR 5,6-Difluoro-3-(2-isopropoxy-4-piperazin-1-yl-phenyl)-1H-indole-2-carboxylic acid amide | | 分子名称: | 1,2-ETHANEDIOL, 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, DIMETHYL SULFOXIDE, ... | | 著者 | Musil, D, Heinrich, T, Lehmann, M. | | 登録日 | 2019-01-07 | | 公開日 | 2019-05-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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7U8K
 | | Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments | | 分子名称: | Actin, alpha skeletal muscle, Cofilin-2 | | 著者 | Kraus, J, Russell, R, Kudryashova, E, Xu, C, Katyal, N, Kudryashov, D, Perilla, J.R, Polenova, T. | | 登録日 | 2022-03-08 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | SOLID-STATE NMR | | 主引用文献 | Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
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7VP4
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7U92
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | | 著者 | Westberg, M, Fernandez, D, Lin, M.Z. | | 登録日 | 2022-03-09 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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1AHP
 | | OLIGOSACCHARIDE SUBSTRATE BINDING IN ESCHERICHIA COLI MALTODEXTRIN PHSPHORYLASE | | 分子名称: | E.COLI MALTODEXTRIN PHOSPHORYLASE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | O'Reilly, M, Watson, K.A, Schinzel, R, Palm, D, Johnson, L.N. | | 登録日 | 1997-04-10 | | 公開日 | 1997-10-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Oligosaccharide substrate binding in Escherichia coli maltodextrin phosphorylase.
Nat.Struct.Biol., 4, 1997
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7B3Y
 | | Structure of a nanoparticle for a COVID-19 vaccine candidate | | 分子名称: | Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase | | 著者 | Duyvesteyn, H.M.E, Stuart, D.I. | | 登録日 | 2020-12-01 | | 公開日 | 2021-01-13 | | 最終更新日 | 2021-02-03 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
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6NET
 | | FAD-dependent monooxygenase TropB from T. stipitatus substrate complex | | 分子名称: | 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ... | | 著者 | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
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6TBC
 | | Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B | | 分子名称: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Fage, C.D, Masschelein, J. | | 登録日 | 2019-11-01 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI.
Angew.Chem.Int.Ed.Engl., 59, 2020
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1AA5
 | | VANCOMYCIN | | 分子名称: | ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ... | | 著者 | Loll, P.J, Bevivino, A.E, Korty, B.D, Axelsen, P.H. | | 登録日 | 1997-01-23 | | 公開日 | 1997-08-20 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | | 主引用文献 | Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer.
J.Am.Chem.Soc., 119, 1997
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6X4O
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | | 分子名称: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | 著者 | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6GGM
 | | HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe. | | 分子名称: | Beta-2-microglobulin, MHC class I antigen, Mtb44*P2-Phe peptide variant (ARG-PHE-PRO-ALA-LYS-ALA-PRO-LEU-LEU), ... | | 著者 | Walters, L.C, Gillespie, G.M, McMichael, A.J, Rozbesky, D, Jones, E.Y, Harlos, K. | | 登録日 | 2018-05-03 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.734 Å) | | 主引用文献 | Pathogen-derived HLA-E bound epitopes reveal broad primary anchor pocket tolerability and conformationally malleable peptide binding.
Nat Commun, 9, 2018
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7AI1
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4WMG
 | | Structure of hen egg-white lysozyme from a microfludic harvesting device using synchrotron radiation (2.5A) | | 分子名称: | Lysozyme C | | 著者 | Lyubimov, A.Y, Murray, T.D, Koehl, A, Uervirojnangkoorn, M, Zeldin, O.B, Cohen, A.E, Soltis, S.M, Baxter, E.M, Brewster, A.S, Sauter, N.K, Brunger, A.T, Berger, J.M. | | 登録日 | 2014-10-08 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Capture and X-ray diffraction studies of protein microcrystals in a microfluidic trap array.
Acta Crystallogr.,Sect.D, 71, 2015
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7ZPK
 | | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | | 分子名称: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 | | 著者 | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | 登録日 | 2022-04-27 | | 公開日 | 2022-11-16 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.81 Å) | | 主引用文献 | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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