2Z8N
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![BU of 2z8n by Molmil](/molmil-images/mine/2z8n) | Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein, SULFATE ION | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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2WCG
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![BU of 2wcg by Molmil](/molmil-images/mine/2wcg) | X-ray structure of acid-beta-glucosidase with N-octyl(cyclic guanidine)-nojirimycin in the active site | Descriptor: | CHLORIDE ION, GLUCOSYLCERAMIDASE, N-[(3E,5R,6R,7S,8R,8AR)-5,6,7,8-TETRAHYDROXYHEXAHYDROIMIDAZO[1,5-A]PYRIDIN-3(2H)-YLIDENE]OCTAN-1-AMINIUM, ... | Authors: | Brumshtein, B, Aguilar, M, Garcia-Moreno, M.I, Mellet, C.O, Garcia-Fernandez, J.M, Silman, I, Shaaltiel, Y, Aviezer, D, Sussman, J.L, Futerman, A.H. | Deposit date: | 2009-03-12 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 6-Amino-6-Deoxy-5,6-Di-N-(N'-Octyliminomethylidene)Nojirimycin: Synthesis, Biological Evaluation, and Crystal Structure in Complex with Acid Beta-Glucosidase. Chembiochem, 10, 2009
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4G0F
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![BU of 4g0f by Molmil](/molmil-images/mine/4g0f) | Crystal structure of the complex of a human telomeric repeat G-quadruplex and N-methyl mesoporphyrin IX (P6) | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3'), N-METHYLMESOPORPHYRIN, POTASSIUM ION | Authors: | Nicoludis, J.M, Miller, S.T, Jeffrey, P, Lawton, T.J, Rosenzweig, A.C, Yatsunyk, L.A. | Deposit date: | 2012-07-09 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Optimized End-Stacking Provides Specificity of N-Methyl Mesoporphyrin IX for Human Telomeric G-Quadruplex DNA. J.Am.Chem.Soc., 134, 2012
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2H74
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4G27
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![BU of 4g27 by Molmil](/molmil-images/mine/4g27) | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea | Descriptor: | 1-phenylurea, CALCIUM ION, Calmodulin, ... | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | Deposit date: | 2012-07-11 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels. Nat Commun, 3, 2012
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2Z29
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![BU of 2z29 by Molmil](/molmil-images/mine/2z29) | Thr109Ala dihydroorotase from E. coli | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | Authors: | Lee, M, Maher, M.J, Guss, J.M. | Deposit date: | 2007-05-17 | Release date: | 2007-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State Biochemistry, 46, 2007
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4HHE
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![BU of 4hhe by Molmil](/molmil-images/mine/4hhe) | Quinolinate synthase from Pyrococcus furiosus | Descriptor: | CHLORIDE ION, Quinolinate synthase A | Authors: | Soriano, E.V, Zhang, Y, Settembre, E.C, Colabroy, K, Sanders, J.M, Dorrestein, P.C, Begley, T.P, Ealick, S.E. | Deposit date: | 2012-10-09 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Active-site models for complexes of quinolinate synthase with substrates and intermediates. Acta Crystallogr.,Sect.D, 69, 2013
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4H7B
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2Z8M
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![BU of 2z8m by Molmil](/molmil-images/mine/2z8m) | Structural basis for the catalytic mechanism of phosphothreonine lyase | Descriptor: | 27.5 kDa virulence protein | Authors: | Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J. | Deposit date: | 2007-09-07 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the catalytic mechanism of phosphothreonine lyase. Nat.Struct.Mol.Biol., 15, 2008
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4GW5
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![BU of 4gw5 by Molmil](/molmil-images/mine/4gw5) | cQYN meditope - Cetuximab Fab | Descriptor: | Fab Heavy Chain, Fab Light Chain, PHOSPHATE ION, ... | Authors: | Donaldson, J.M, Zer, C, Avery, K.N, Bzymek, K.P, Horne, D.A, Williams, J.C. | Deposit date: | 2012-08-31 | Release date: | 2013-10-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 110, 2013
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4HUP
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![BU of 4hup by Molmil](/molmil-images/mine/4hup) | Structure of ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanyl)-L-phenylalanine | Descriptor: | (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid, MALONIC ACID, Ricin, ... | Authors: | Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D. | Deposit date: | 2012-11-02 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Peptide-conjugated pterins as inhibitors of ricin toxin A. J.Med.Chem., 56, 2013
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3A60
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![BU of 3a60 by Molmil](/molmil-images/mine/3a60) | Crystal structure of unphosphorylated p70S6K1 (Form I) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-17 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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2INX
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![BU of 2inx by Molmil](/molmil-images/mine/2inx) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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4HV7
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![BU of 4hv7 by Molmil](/molmil-images/mine/4hv7) | Structure of ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)glycine | Descriptor: | 2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid, MALONIC ACID, Ricin, ... | Authors: | Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Manzano, L.A, Wiget, P.A, Anslyn, E.V, Robertus, J.D. | Deposit date: | 2012-11-05 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.869 Å) | Cite: | Peptide-conjugated pterins as inhibitors of ricin toxin A. J.Med.Chem., 56, 2013
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4GEC
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![BU of 4gec by Molmil](/molmil-images/mine/4gec) | Crystal Structure of E.coli MenH R124A Mutant | Descriptor: | 1,2-ETHANEDIOL, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, ... | Authors: | Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M. | Deposit date: | 2012-08-01 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of E. coli Native MenH and Two Active Site Mutants. Plos One, 8, 2013
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1HI0
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![BU of 1hi0 by Molmil](/molmil-images/mine/1hi0) | RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus initiation complex | Descriptor: | DNA (5'-(*TP*TP*TP*CP*C)-3'), GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I. | Deposit date: | 2000-12-31 | Release date: | 2001-03-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Mechanism for Initiating RNA-Dependent RNA Polymerization Nature, 410, 2001
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4FYQ
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![BU of 4fyq by Molmil](/molmil-images/mine/4fyq) | Human aminopeptidase N (CD13) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | Authors: | Wong, A.H, Rini, J.M. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. J.Biol.Chem., 287, 2012
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4G34
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![BU of 4g34 by Molmil](/molmil-images/mine/4g34) | Crystal Structure of GSK6924 Bound to PERK (R587-R1092, delete A660-T867) at 2.70 A Resolution | Descriptor: | 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone, Eukaryotic translation initiation factor 2-alpha kinase 3 | Authors: | Gampe, R.T, Axten, J.M. | Deposit date: | 2012-07-13 | Release date: | 2012-08-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK). J.Med.Chem., 55, 2012
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3IZG
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![BU of 3izg by Molmil](/molmil-images/mine/3izg) | Bacteriophage T7 prohead shell EM-derived atomic model | Descriptor: | Major capsid protein 10A | Authors: | Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L. | Deposit date: | 2010-10-27 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (10.9 Å) | Cite: | Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7. J.Biol.Chem., 286, 2011
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1HIL
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![BU of 1hil by Molmil](/molmil-images/mine/1hil) | |
3A61
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![BU of 3a61 by Molmil](/molmil-images/mine/3a61) | Crystal structure of unphosphorylated p70S6K1 (Form II) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A62
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![BU of 3a62 by Molmil](/molmil-images/mine/3a62) | Crystal structure of phosphorylated p70S6K1 | Descriptor: | MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3ALA
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![BU of 3ala by Molmil](/molmil-images/mine/3ala) | Crystal structure of vascular adhesion protein-1 in space group C2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ernberg, K.E, McGrath, A.P, Guss, J.M. | Deposit date: | 2010-07-29 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A new crystal form of human vascular adhesion protein 1 Acta Crystallogr.,Sect.F, 66, 2010
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4FYS
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![BU of 4fys by Molmil](/molmil-images/mine/4fys) | Human aminopeptidase N (CD13) in complex with angiotensin IV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | Authors: | Wong, A.H, Rini, J.M. | Deposit date: | 2012-07-05 | Release date: | 2012-09-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The X-ray Crystal Structure of Human Aminopeptidase N Reveals a Novel Dimer and the Basis for Peptide Processing. J.Biol.Chem., 287, 2012
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4HJK
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![BU of 4hjk by Molmil](/molmil-images/mine/4hjk) | U7Ub7 Disulfide variant | Descriptor: | PHOSPHATE ION, Ubiquitin | Authors: | Murray, J.M, Rouge, L. | Deposit date: | 2012-10-12 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.784 Å) | Cite: | Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization to be published
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