4KB8
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4KBA
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![BU of 4kba by Molmil](/molmil-images/mine/4kba) | CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor | Descriptor: | 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine, Casein kinase I isoform delta, SULFATE ION | Authors: | Liu, S. | Deposit date: | 2013-04-23 | Release date: | 2013-09-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand-protein interactions of selective casein kinase 1 delta inhibitors. J.Med.Chem., 56, 2013
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2X5F
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![BU of 2x5f by Molmil](/molmil-images/mine/2x5f) | Crystal structure of the methicillin-resistant Staphylococcus aureus Sar2028, an aspartate_tyrosine_phenylalanine pyridoxal-5'-phosphate dependent aminotransferase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASPARTATE_TYROSINE_PHENYLALANINE PYRIDOXAL-5' PHOSPHATE-DEPENDENT AMINOTRANSFERASE, MAGNESIUM ION, ... | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-02-08 | Release date: | 2010-07-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genom., 11, 2010
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2X3F
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![BU of 2x3f by Molmil](/molmil-images/mine/2x3f) | Crystal Structure of the Methicillin-Resistant Staphylococcus aureus Sar2676, a Pantothenate Synthetase. | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PANTHOTHENATE SYNTHETASE, SULFATE ION | Authors: | Oke, M, Carter, L.G, Johnson, K.A, Liu, H, Mcmahon, S.A, White, M.F, Naismith, J.H. | Deposit date: | 2010-01-24 | Release date: | 2010-07-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genom., 11, 2010
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5TOZ
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![BU of 5toz by Molmil](/molmil-images/mine/5toz) | JAK3 with covalent inhibitor PF-06651600 | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-10-19 | Release date: | 2016-11-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition. ACS Chem. Biol., 11, 2016
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5TTU
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![BU of 5ttu by Molmil](/molmil-images/mine/5ttu) | Jak3 with covalent inhibitor 7 | Descriptor: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTS
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![BU of 5tts by Molmil](/molmil-images/mine/5tts) | Jak3 with covalent inhibitor 4 | Descriptor: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5TTV
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![BU of 5ttv by Molmil](/molmil-images/mine/5ttv) | Jak3 with covalent inhibitor 6 | Descriptor: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | Authors: | Vajdos, F.F. | Deposit date: | 2016-11-04 | Release date: | 2017-02-22 | Last modified: | 2017-03-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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7KDT
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![BU of 7kdt by Molmil](/molmil-images/mine/7kdt) | |
1W4Y
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![BU of 1w4y by Molmil](/molmil-images/mine/1w4y) | Ferrous horseradish peroxidase C1A in complex with carbon monoxide | Descriptor: | CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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1W4W
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![BU of 1w4w by Molmil](/molmil-images/mine/1w4w) | Ferric horseradish peroxidase C1A in complex with formate | Descriptor: | CALCIUM ION, FORMIC ACID, HORSERADISH PEROXIDASE C1A, ... | Authors: | Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J. | Deposit date: | 2004-08-03 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide Biochemistry, 44, 2005
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1H57
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![BU of 1h57 by Molmil](/molmil-images/mine/1h57) | Structure of horseradish peroxidase C1A compound III | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J. | Deposit date: | 2001-05-20 | Release date: | 2002-06-17 | Last modified: | 2014-02-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5M
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![BU of 1h5m by Molmil](/molmil-images/mine/1h5m) | X-ray induced reduction of horseradish peroxidase C1A Compound III (0-100% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1HCH
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![BU of 1hch by Molmil](/molmil-images/mine/1hch) | Structure of horseradish peroxidase C1A compound I | Descriptor: | ACETATE ION, CALCIUM ION, OXYGEN ATOM, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-04 | Release date: | 2002-07-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5F
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![BU of 1h5f by Molmil](/molmil-images/mine/1h5f) | X-ray induced reduction of horseradish peroxidase C1A Compound III (22-33% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5G
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![BU of 1h5g by Molmil](/molmil-images/mine/1h5g) | X-ray induced reduction of horseradish peroxidase C1A Compound III (33-44% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5H
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![BU of 1h5h by Molmil](/molmil-images/mine/1h5h) | X-ray induced reduction of horseradish peroxidase C1A Compound III (44-56% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5D
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![BU of 1h5d by Molmil](/molmil-images/mine/1h5d) | X-ray induced reduction of horseradish peroxidase C1A Compound III (0-11% dose) | Descriptor: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5C
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![BU of 1h5c by Molmil](/molmil-images/mine/1h5c) | X-ray induced reduction of horseradish peroxidase C1A Compound III (100-200% dose) | Descriptor: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-21 | Release date: | 2002-06-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H58
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![BU of 1h58 by Molmil](/molmil-images/mine/1h58) | STRUCTURE OF FERROUS HORSERADISH PEROXIDASE C1A | Descriptor: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-20 | Release date: | 2002-06-18 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5J
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![BU of 1h5j by Molmil](/molmil-images/mine/1h5j) | X-ray induced reduction of horseradish peroxidase C1A Compound III (67-78% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5L
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![BU of 1h5l by Molmil](/molmil-images/mine/1h5l) | X-ray induced reduction of horseradish peroxidase C1A Compound III (89-100% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5I
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![BU of 1h5i by Molmil](/molmil-images/mine/1h5i) | X-ray induced reduction of horseradish peroxidase C1A Compound III (56-67% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H55
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![BU of 1h55 by Molmil](/molmil-images/mine/1h55) | STRUCTURE OF HORSERADISH PEROXIDASE C1A COMPOUND II | Descriptor: | ACETATE ION, CALCIUM ION, OXYGEN ATOM, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-18 | Release date: | 2002-06-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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1H5K
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![BU of 1h5k by Molmil](/molmil-images/mine/1h5k) | X-ray induced reduction of horseradish peroxidase C1A Compound III (78-89% dose) | Descriptor: | ACETATE ION, CALCIUM ION, HYDROGEN PEROXIDE, ... | Authors: | Berglund, G.I, Carlsson, G.H, Hajdu, J, Smith, A.T, Szoke, H, Henriksen, A. | Deposit date: | 2001-05-22 | Release date: | 2002-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Horseradish Peroxidase at High Resolution Nature, 417, 2002
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