2GMV
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![BU of 2gmv by Molmil](/molmil-images/mine/2gmv) | PEPCK complex with a GTP-competitive inhibitor | Descriptor: | MANGANESE (II) ION, N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE, PHOSPHOENOLPYRUVATE, ... | Authors: | Dunten, P. | Deposit date: | 2006-04-07 | Release date: | 2007-05-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase. Bioorg.Med.Chem.Lett., 17, 2007
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1G4K
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![BU of 1g4k by Molmil](/molmil-images/mine/1g4k) | X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin | Descriptor: | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE, CALCIUM ION, GLYCEROL, ... | Authors: | Dunten, P, Kammlott, U, Crowther, R, Levin, W, Foley, L.H, Wang, P, Palermo, R. | Deposit date: | 2000-10-27 | Release date: | 2001-04-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of a novel matrix metalloproteinase inhibitor complexed to stromelysin. Protein Sci., 10, 2001
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1FPP
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![BU of 1fpp by Molmil](/molmil-images/mine/1fpp) | PROTEIN FARNESYLTRANSFERASE COMPLEX WITH FARNESYL DIPHOSPHATE | Descriptor: | FARNESYL DIPHOSPHATE, PHOSPHATE ION, PROTEIN FARNESYLTRANSFERASE, ... | Authors: | Dunten, P, Kammlott, U, Crowther, R, Weber, D, Palermo, R, Birktoft, J. | Deposit date: | 1998-07-10 | Release date: | 1999-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Protein farnesyltransferase: structure and implications for substrate binding. Biochemistry, 37, 1998
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3MQY
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![BU of 3mqy by Molmil](/molmil-images/mine/3mqy) | SgrAI with cleaved DNA and Magnesium bound | Descriptor: | DNA (5'-D(*GP*AP*GP*TP*CP*CP*A)-3'), DNA (5'-D(P*CP*CP*GP*GP*TP*GP*GP*AP*CP*TP*C)-3'), MAGNESIUM ION, ... | Authors: | Dunten, P.W, Horton, N.C, Little, E.J. | Deposit date: | 2010-04-28 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA. Acta Crystallogr.,Sect.D, 67, 2011
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3ODM
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![BU of 3odm by Molmil](/molmil-images/mine/3odm) | Archaeal-type phosphoenolpyruvate carboxylase | Descriptor: | GOLD (I) CYANIDE ION, MALONATE ION, Phosphoenolpyruvate carboxylase | Authors: | Dunten, P.W. | Deposit date: | 2010-08-11 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate. Proteins, 79, 2011
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3MQ6
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![BU of 3mq6 by Molmil](/molmil-images/mine/3mq6) | |
1DPP
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![BU of 1dpp by Molmil](/molmil-images/mine/1dpp) | DIPEPTIDE BINDING PROTEIN COMPLEX WITH GLYCYL-L-LEUCINE | Descriptor: | DIPEPTIDE BINDING PROTEIN, GLYCINE, LEUCINE | Authors: | Dunten, P, Mowbray, S.L. | Deposit date: | 1995-08-11 | Release date: | 1995-12-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structure of the dipeptide binding protein from Escherichia coli involved in active transport and chemotaxis. Protein Sci., 4, 1995
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1KHE
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![BU of 1khe by Molmil](/molmil-images/mine/1khe) | PEPCK complex with nonhydrolyzable GTP analog, MAD data | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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1KHB
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![BU of 1khb by Molmil](/molmil-images/mine/1khb) | PEPCK complex with nonhydrolyzable GTP analog, native data | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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1KHG
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![BU of 1khg by Molmil](/molmil-images/mine/1khg) | PEPCK | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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1KHF
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![BU of 1khf by Molmil](/molmil-images/mine/1khf) | PEPCK complex with PEP | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | Deposit date: | 2001-11-29 | Release date: | 2002-02-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site. J.Mol.Biol., 316, 2002
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3DVO
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![BU of 3dvo by Molmil](/molmil-images/mine/3dvo) | SgrAI with cognate DNA and calcium bound | Descriptor: | CALCIUM ION, DNA (5'-D(*DGP*DAP*DGP*DTP*DCP*DCP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DTP*DC)-3'), SgraIR restriction enzyme | Authors: | Dunten, P.W, Horton, N.C, Little, E.J. | Deposit date: | 2008-07-18 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | The structure of SgrAI bound to DNA; recognition of an 8 base pair target. Nucleic Acids Res., 36, 2008
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3DW9
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![BU of 3dw9 by Molmil](/molmil-images/mine/3dw9) | SgrAI with cognate DNA and manganese bound | Descriptor: | DNA (5'-D(*DGP*DAP*DGP*DTP*DCP*DCP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DTP*DC)-3'), MANGANESE (II) ION, SgraIR restriction enzyme | Authors: | Dunten, P.W, Horton, N.C, Little, E.J. | Deposit date: | 2008-07-21 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of SgrAI bound to DNA; recognition of an 8 base pair target. Nucleic Acids Res., 36, 2008
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3DPG
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![BU of 3dpg by Molmil](/molmil-images/mine/3dpg) | SgrAI with noncognate DNA bound | Descriptor: | CALCIUM ION, DNA (5'-D(*DAP*DAP*DGP*DTP*DCP*DGP*DAP*DCP*DCP*DGP*DGP*DTP*DGP*DGP*DAP*DCP*DT)-3'), SgraIR restriction enzyme | Authors: | Dunten, P.W, Horton, N.C, Little, E.J. | Deposit date: | 2008-07-08 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The structure of SgrAI bound to DNA; recognition of an 8 base pair target. Nucleic Acids Res., 36, 2008
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4WA8
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![BU of 4wa8 by Molmil](/molmil-images/mine/4wa8) | |
1NHX
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![BU of 1nhx by Molmil](/molmil-images/mine/1nhx) | PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE, ... | Authors: | Foley, L.H, Wang, P, Dunten, P, Ramsey, G, Gubler, M.-L, Wertheimer, S.J. | Deposit date: | 2002-12-19 | Release date: | 2003-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-RAY STRUCTURES OF TWO XANTHINE INHIBITORS BOUND TO PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines Bioorg.Med.Chem.Lett., 13, 2003
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1R78
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![BU of 1r78 by Molmil](/molmil-images/mine/1r78) | CDK2 complex with a 4-alkynyl oxindole inhibitor | Descriptor: | 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE, Cell division protein kinase 2 | Authors: | Luk, K.-C, Simcox, M.E, Schutt, A, Rowan, K, Thompson, T, Chen, Y, Kammlott, U, DePinto, W, Dunten, P, Dermatakis, A. | Deposit date: | 2003-10-20 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14, 2004
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4RNE
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![BU of 4rne by Molmil](/molmil-images/mine/4rne) | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-24 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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1OZ1
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![BU of 1oz1 by Molmil](/molmil-images/mine/1oz1) | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | Descriptor: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | Authors: | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | Deposit date: | 2003-04-07 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. J.Med.Chem., 46, 2003
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4RJ1
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![BU of 4rj1 by Molmil](/molmil-images/mine/4rj1) | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-08 | Release date: | 2014-11-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.92 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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4RKV
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![BU of 4rkv by Molmil](/molmil-images/mine/4rkv) | Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions | Descriptor: | CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... | Authors: | Fyfe, A.C, Dunten, P.W, Scott, W.G. | Deposit date: | 2014-10-14 | Release date: | 2014-11-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
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2INP
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![BU of 2inp by Molmil](/molmil-images/mine/2inp) | Structure of the Phenol Hydroxylase-Regulatory Protein Complex | Descriptor: | FE (III) ION, Phenol hydroxylase component phL, Phenol hydroxylase component phM, ... | Authors: | Sazinsky, M.S, Dunten, P.W, McCormick, M.S, Lippard, S.J. | Deposit date: | 2006-10-08 | Release date: | 2007-01-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray Structure of a Hydroxylase-Regulatory Protein Complex from a Hydrocarbon-Oxidizing Multicomponent Monooxygenase, Pseudomonas sp. OX1 Phenol Hydroxylase. Biochemistry, 45, 2006
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2INN
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![BU of 2inn by Molmil](/molmil-images/mine/2inn) | Structure of the Phenol Hydroxyalse-Regulatory Protein Complex | Descriptor: | FE (III) ION, MOLYBDATE ION, Phenol hydroxylase component phL, ... | Authors: | Sazinsky, M.H, Dunten, P.W, McCormick, M.S, Lippard, S.J. | Deposit date: | 2006-10-08 | Release date: | 2007-01-16 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | X-ray Structure of a Hydroxylase-Regulatory Protein Complex from a Hydrocarbon-Oxidizing Multicomponent Monooxygenase, Pseudomonas sp. OX1 Phenol Hydroxylase. Biochemistry, 45, 2006
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1C8T
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![BU of 1c8t by Molmil](/molmil-images/mine/1c8t) | HUMAN STROMELYSIN-1 (E202Q) CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | Authors: | Steele, D.L, el-Kabbani, O, Dunten, P, Crowther, R.L. | Deposit date: | 1999-07-29 | Release date: | 2000-07-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1. Protein Eng., 13, 2000
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1M51
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![BU of 1m51 by Molmil](/molmil-images/mine/1m51) | PEPCK complex with a GTP-competitive inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ... | Authors: | Foley, L.H, Wang, P, Dunten, P, Wertheimer, S.J. | Deposit date: | 2002-07-06 | Release date: | 2003-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | X-ray Structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-Dibenzylxanthines Bioorg.Med.Chem.Lett., 13, 2003
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