4NGP
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![BU of 4ngp by Molmil](/molmil-images/mine/4ngp) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 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, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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4NGT
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![BU of 4ngt by Molmil](/molmil-images/mine/4ngt) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 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, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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7TR0
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![BU of 7tr0 by Molmil](/molmil-images/mine/7tr0) | CaKip3[2-436] - AMP-PNP in complex with a microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | Deposit date: | 2022-01-27 | Release date: | 2022-07-20 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape. Nat Commun, 13, 2022
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4MCS
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![BU of 4mcs by Molmil](/molmil-images/mine/4mcs) | A high resolution structure of human glutamate carboxypeptidase II (GCPII) His475Tyr variant in complex with glutamic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC ACID, ... | Authors: | Ptacek, J, Barinka, C, Sacha, P, Navratil, M. | Deposit date: | 2013-08-21 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II. Febs J., 281, 2014
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4MCP
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![BU of 4mcp by Molmil](/molmil-images/mine/4mcp) | A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with folyl-gamma-L-glutamic acid (pteroyldi-gamma-L-glutamic acid) | Descriptor: | 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, ... | Authors: | Navratil, M, Barinka, C, Lubkowski, J. | Deposit date: | 2013-08-21 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and biochemical characterization of the folyl-poly-gamma-l-glutamate hydrolyzing activity of human glutamate carboxypeptidase II. Febs J., 281, 2014
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2P7G
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![BU of 2p7g by Molmil](/molmil-images/mine/2p7g) | X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A. | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma, SODIUM ION | Authors: | Abad, M.C. | Deposit date: | 2007-03-20 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds. J.Steroid Biochem.Mol.Biol., 108, 2008
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4NGQ
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![BU of 4ngq by Molmil](/molmil-images/mine/4ngq) | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | Descriptor: | 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, ... | Authors: | Tykvart, J, Pachl, P. | Deposit date: | 2013-11-02 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. Bioorg.Med.Chem., 22, 2014
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6BIG
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![BU of 6big by Molmil](/molmil-images/mine/6big) | Crystal structure of cobalt-substituted Synechocystis ACO | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, COBALT (II) ION | Authors: | Sui, X, Shi, W, Kiser, P.D. | Deposit date: | 2017-11-02 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Preparation and characterization of metal-substituted carotenoid cleavage oxygenases. J. Biol. Inorg. Chem., 23, 2018
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4A9X
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![BU of 4a9x by Molmil](/molmil-images/mine/4a9x) | Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, MU-OXO-DIIRON, ... | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | Deposit date: | 2011-11-29 | Release date: | 2012-12-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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6CQT
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![BU of 6cqt by Molmil](/molmil-images/mine/6cqt) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (-) Stereoisomer of VX | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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4ALF
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![BU of 4alf by Molmil](/molmil-images/mine/4alf) | Pseudomonas fluorescens PhoX in complex with phosphate | Descriptor: | 1,2-ETHANEDIOL, ALKALINE PHOSPHATASE PHOX, CALCIUM ION, ... | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | Deposit date: | 2012-03-02 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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6CQZ
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![BU of 6cqz by Molmil](/molmil-images/mine/6cqz) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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4C9W
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![BU of 4c9w by Molmil](/molmil-images/mine/4c9w) | Crystal structure of NUDT1 (MTH1) with R-crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ... | Authors: | Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2013-10-03 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy. Nature, 508, 2014
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4AMF
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![BU of 4amf by Molmil](/molmil-images/mine/4amf) | Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | Deposit date: | 2012-03-09 | Release date: | 2013-03-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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6CQX
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![BU of 6cqx by Molmil](/molmil-images/mine/6cqx) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | Deposit date: | 2018-03-16 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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4A9V
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![BU of 4a9v by Molmil](/molmil-images/mine/4a9v) | Pseudomonas fluorescens PhoX | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | Deposit date: | 2011-11-28 | Release date: | 2012-12-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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2P7A
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![BU of 2p7a by Molmil](/molmil-images/mine/2p7a) | |
4MCQ
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![BU of 4mcq by Molmil](/molmil-images/mine/4mcq) | |
7MT4
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![BU of 7mt4 by Molmil](/molmil-images/mine/7mt4) | Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT5
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![BU of 7mt5 by Molmil](/molmil-images/mine/7mt5) | Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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7MT6
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![BU of 7mt6 by Molmil](/molmil-images/mine/7mt6) | Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI) | Descriptor: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ... | Authors: | Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J. | Deposit date: | 2021-05-12 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate. Proc.Natl.Acad.Sci.USA, 119, 2022
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2P7Z
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![BU of 2p7z by Molmil](/molmil-images/mine/2p7z) | Estrogen Related Receptor Gamma in complex with 4-hydroxy-tamoxifen | Descriptor: | 4-HYDROXYTAMOXIFEN, Estrogen-related receptor gamma | Authors: | Abad, M.C. | Deposit date: | 2007-03-21 | Release date: | 2008-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural determination of estrogen-related receptor gamma in the presence of phenol derivative compounds. J.Steroid Biochem.Mol.Biol., 108, 2008
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1QV1
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![BU of 1qv1 by Molmil](/molmil-images/mine/1qv1) | Atomic resolution structure of obelin from Obelia longissima | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, CALCIUM ION, COBALT (II) ION, ... | Authors: | Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C. | Deposit date: | 2003-08-26 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine. Biochem.Biophys.Res.Commun., 311, 2003
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1QV0
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![BU of 1qv0 by Molmil](/molmil-images/mine/1qv0) | Atomic resolution structure of obelin from Obelia longissima | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, COBALT (II) ION, GLYCEROL, ... | Authors: | Liu, Z.J, Vysotski, E.S, Deng, L, Lee, J, Rose, J, Wang, B.C. | Deposit date: | 2003-08-26 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Atomic resolution structure of obelin: soaking with calcium enhances electron density of the second oxygen atom substituted at the C2-position of coelenterazine. Biochem.Biophys.Res.Commun., 311, 2003
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1PSU
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![BU of 1psu by Molmil](/molmil-images/mine/1psu) | Structure of the E. coli PaaI protein from the phyenylacetic acid degradation operon | Descriptor: | Phenylacetic acid degradation protein PaaI | Authors: | Kniewel, R, Buglino, J, Solorzano, V, Wu, J, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2003-06-21 | Release date: | 2003-07-08 | Last modified: | 2021-02-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, function, and mechanism of the phenylacetate pathway hot dog-fold thioesterase PaaI. J.Biol.Chem., 281, 2006
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