6MS8
 
 | | Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | | 分子名称: | Chalcone-flavonone isomerase family protein, NARINGENIN | | 著者 | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | | 登録日 | 2018-10-16 | | 公開日 | 2019-08-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases
Acs Catalysis, 2019
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3QD4
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | 登録日 | 2011-01-17 | | 公開日 | 2011-03-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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6MSO
 | | Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate | | 分子名称: | (2S)-2-sulfanylbutanedioic acid, GLYCEROL, IRON/SULFUR CLUSTER, ... | | 著者 | Feliciano, P.R, Drennan, C.L, Nonato, M.C. | | 登録日 | 2018-10-17 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | | 主引用文献 | Crystal Structures of Fumarate Hydratases from Leishmania major in a Complex with Inhibitor 2-Thiomalate.
ACS Chem. Biol., 14, 2019
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6MUW
 | | The structure of the Plasmodium falciparum 20S proteasome. | | 分子名称: | 20S proteasome alpha-1 subunit, 20S proteasome alpha-2 subunit, 20S proteasome alpha-3 subunit, ... | | 著者 | Metcalfe, R.D, Xie, S.C, Hanssen, E, Gillett, D.L, Leis, A.P, Tilley, L, Griffin, M.D.W. | | 登録日 | 2018-10-23 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis.
Nat Microbiol, 4, 2019
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1ZGC
 | | Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (RS)-Tacrine(10)-Hupyridone Inhibitor. | | 分子名称: | (5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | 著者 | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | | 登録日 | 2005-04-21 | | 公開日 | 2005-08-16 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase
J.Am.Chem.Soc., 127, 2005
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6MYX
 | | EM structure of Bacillus subtilis ribonucleotide reductase inhibited double-helical filament of NrdE alpha subunit with dATP | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Ribonucleoside-diphosphate reductase | | 著者 | Thomas, W.C, Bacik, J.P, Chen, J.Z, Ando, N. | | 登録日 | 2018-11-02 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (6 Å) | | 主引用文献 | Convergent allostery in ribonucleotide reductase.
Nat Commun, 10, 2019
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2KNK
 | | Structure of the trimethylene N2-dG:N2-dG interstrand cross-link in 5'-CpG-3' sequence context | | 分子名称: | DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE | | 著者 | Huang, H, Dooley, P.A, Harris, C.M, Harris, T.M, Stone, M.P. | | 登録日 | 2009-08-26 | | 公開日 | 2009-09-29 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Differential base stacking interactions induced by trimethylene interstrand DNA cross-links in the 5'-CpG-3' and 5'-GpC-3' sequence contexts.
Chem.Res.Toxicol., 22, 2009
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2QWY
 | | SAM-II riboswitch bound to S-adenosylmethionine | | 分子名称: | CESIUM ION, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Gilbert, S.D, Rambo, R.P, Van Tyne, D, Batey, R.T. | | 登録日 | 2007-08-10 | | 公開日 | 2008-01-22 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of the SAM-II riboswitch bound to S-adenosylmethionine.
Nat.Struct.Mol.Biol., 15, 2008
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4CUF
 | | Human Notch1 EGF domains 11-13 mutant T466S | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 | | 著者 | Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. | | 登録日 | 2014-03-18 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands.
Proc.Natl.Acad.Sci.USA, 111, 2014
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7MGD
 | | Concanavalin A bound to a DNA glycoconjugate, T(Man-T)TT | | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | 著者 | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | 登録日 | 2021-04-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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7MGB
 | | Concanavalin A bound to a DNA glycoconjugate, A(Man-T)AT | | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | 著者 | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | 登録日 | 2021-04-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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6NWV
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6KAB
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2Y1K
 | | STRUCTURE OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY CBDP (12H SOAK): PHOSPHOSERINE ADDUCT | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLINESTERASE, ... | | 著者 | Carletti, E, Colletier, J.P, Nachon, F, Weik, M. | | 登録日 | 2010-12-08 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Reaction of Cresyl Saligenin Phosphate, the Organophosphorus Agent Implicated in Aerotoxic Syndrome, with Human Cholinesterases: Mechanistic Studies Employing Kinetics, Mass Spectrometry, and X-Ray Structure Analysis.
Chem.Res.Toxicol., 24, 2011
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4JY6
 | | Crystal structure of human Fab PGT123, a broadly reactive and potent HIV-1 neutralizing antibody | | 分子名称: | GLYCEROL, PGT123 heavy chain, PGT123 light chain, ... | | 著者 | Julien, J.-P, Diwanji, D.C, Burton, D.R, Wilson, I.A. | | 登録日 | 2013-03-29 | | 公開日 | 2013-05-08 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Broadly Neutralizing Antibody PGT121 Allosterically Modulates CD4 Binding via Recognition of the HIV-1 gp120 V3 Base and Multiple Surrounding Glycans.
Plos Pathog., 9, 2013
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5H9D
 | | Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus | | 分子名称: | C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ... | | 著者 | Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T. | | 登録日 | 2015-12-28 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
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3QCS
 | | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-[2-Amino-6-(4-morpholinyl)-4-pyrimidinyl]-1H-indazol-3-amine | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-[2-amino-6-(morpholin-4-yl)pyrimidin-4-yl]-2H-indazol-3-amine, GLYCEROL, ... | | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | | 登録日 | 2011-01-17 | | 公開日 | 2011-03-09 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors.
J.Med.Chem., 54, 2011
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7MGC
 | | Concanavalin A bound to a DNA glycoconjugate, G(Man-T)AC | | 分子名称: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | | 著者 | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | | 登録日 | 2021-04-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
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2ORH
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2XSW
 | | Crystal structure of human INPP5E | | 分子名称: | 72 KDA INOSITOL POLYPHOSPHATE 5-PHOSPHATASE, CHLORIDE ION, GLYCEROL | | 著者 | Tresaugues, L, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van Der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P. | | 登録日 | 2010-09-30 | | 公開日 | 2010-11-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Human Inpp5E
To be Published
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7MGL
 | | Structure of human TRPML1 with ML-SI3 | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Mucolipin-1, N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | | 著者 | Schmiege, P, Li, X. | | 登録日 | 2021-04-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2021-11-17 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Atomic insights into ML-SI3 mediated human TRPML1 inhibition.
Structure, 29, 2021
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1MTY
 | | METHANE MONOOXYGENASE HYDROXYLASE FROM METHYLOCOCCUS CAPSULATUS (BATH) | | 分子名称: | FE (III) ION, METHANE MONOOXYGENASE HYDROXYLASE | | 著者 | Rosenzweig, A.C, Nordlund, P, Lippard, S.J, Frederick, C.A. | | 登録日 | 1996-07-10 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structures of the methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath): implications for substrate gating and component interactions.
Proteins, 29, 1997
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2ORF
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6NNZ
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4 | | 分子名称: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid, ... | | 著者 | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | | 登録日 | 2019-01-15 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 4
To Be Published
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4A9C
 | | Crystal structure of human SHIP2 in complex with biphenyl 2,3',4,5',6- pentakisphosphate | | 分子名称: | BIPHENYL 2,3',4,5',6-PENTAKISPHOSPHATE, PHOSPHATIDYLINOSITOL-3,4,5-TRISPHOSPHATE 5-PHOSPHATASE 2 | | 著者 | Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Karlberg, T, Mills, S.J, Moche, M, Nyman, T, Persson, C, Potter, B.V.L, Schuler, H, Thorsell, A.G, Weigelt, J, Nordlund, P. | | 登録日 | 2011-11-25 | | 公開日 | 2012-05-30 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Synthetic Polyphosphoinositide Headgroup Surrogate in Complex with Ship2 Provides a Rationale for Drug Discovery.
Acs Chem.Biol., 7, 2012
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