5VU2
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1TUC
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1LLH
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![BU of 1llh by Molmil](/molmil-images/mine/1llh) | ARE CARBOXY TERMINII OF HELICES CODED BY THE LOCAL SEQUENCE OR BY TERTIARY STRUCTURE CONTACTS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme | Authors: | Sagermann, M, Martensson, L.-G, Baase, W.A, Matthews, B.W. | Deposit date: | 2002-04-28 | Release date: | 2002-05-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A test of proposed rules for helix capping: Implications for protein design Protein Sci., 11, 2002
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1OYU
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3HQ6
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![BU of 3hq6 by Molmil](/molmil-images/mine/3hq6) | Cytochrome c peroxidase from G. sulfurreducens, wild type | Descriptor: | CALCIUM ION, Cytochrome c551 peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hoffmann, M, Seidel, J, Einsle, O. | Deposit date: | 2009-06-05 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase. J.Mol.Biol., 393, 2009
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2IYW
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![BU of 2iyw by Molmil](/molmil-images/mine/2iyw) | Shikimate kinase from Mycobacterium tuberculosis in complex with MgATP, open LID (conf. B) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYQ
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![BU of 2iyq by Molmil](/molmil-images/mine/2iyq) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate and ADP | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-21 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYS
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![BU of 2iys by Molmil](/molmil-images/mine/2iys) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate, open LID (conf. A) | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-21 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYT
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![BU of 2iyt by Molmil](/molmil-images/mine/2iyt) | Shikimate kinase from Mycobacterium tuberculosis in unliganded state, open LID (conf. A) | Descriptor: | CHLORIDE ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYV
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![BU of 2iyv by Molmil](/molmil-images/mine/2iyv) | Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, open LID (conf. B) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYU
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![BU of 2iyu by Molmil](/molmil-images/mine/2iyu) | Shikimate kinase from Mycobacterium tuberculosis in complex with ADP, open LID (conf. A) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYZ
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![BU of 2iyz by Molmil](/molmil-images/mine/2iyz) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate-3-phosphate and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SHIKIMATE KINASE, SHIKIMATE-3-PHOSPHATE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-22 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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2IYR
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![BU of 2iyr by Molmil](/molmil-images/mine/2iyr) | Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SHIKIMATE KINASE | Authors: | Hartmann, M.D, Bourenkov, G.P, Oberschall, A, Strizhov, N, Bartunik, H.D. | Deposit date: | 2006-07-21 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mechanism of Phosphoryl Transfer Catalyzed by Shikimate Kinase from Mycobacterium Tuberculosis. J.Mol.Biol., 364, 2006
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3GFH
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3HQ7
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![BU of 3hq7 by Molmil](/molmil-images/mine/3hq7) | CcpA from G. sulfurreducens, G94K/K97Q/R100I variant | Descriptor: | CALCIUM ION, Cytochrome c551 peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hoffmann, M, Seidel, J, Einsle, O. | Deposit date: | 2009-06-05 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase. J.Mol.Biol., 393, 2009
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3HQ8
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![BU of 3hq8 by Molmil](/molmil-images/mine/3hq8) | CcpA from G. sulfurreducens S134P/V135K variant | Descriptor: | CALCIUM ION, Cytochrome c551 peroxidase, IMIDAZOLE, ... | Authors: | Hoffmann, M, Seidel, J, Einsle, O. | Deposit date: | 2009-06-05 | Release date: | 2009-09-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase. J.Mol.Biol., 393, 2009
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2M2A
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2MX7
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1AL0
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![BU of 1al0 by Molmil](/molmil-images/mine/1al0) | PROCAPSID OF BACTERIOPHAGE PHIX174 | Descriptor: | CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ... | Authors: | Rossmann, M.G, Dokland, T. | Deposit date: | 1997-06-06 | Release date: | 1998-01-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a viral procapsid with molecular scaffolding. Nature, 389, 1997
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1C8E
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1C8F
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![BU of 1c8f by Molmil](/molmil-images/mine/1c8f) | FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE | Descriptor: | CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID | Authors: | Rossmann, M.G, Simpson, A.A. | Deposit date: | 2000-05-05 | Release date: | 2000-08-09 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses. J.Mol.Biol., 300, 2000
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5N65
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![BU of 5n65 by Molmil](/molmil-images/mine/5n65) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | Descriptor: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5N64
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![BU of 5n64 by Molmil](/molmil-images/mine/5n64) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | Descriptor: | 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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5TBE
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![BU of 5tbe by Molmil](/molmil-images/mine/5tbe) | Human p38alpha MAP Kinase in Complex with Dibenzosuberone Compound 2 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[2,4-bis(fluoranyl)-5-[[9-(2-morpholin-4-ylethylcarbamoyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulen-3-yl]amino]phenyl]thiophene-2-carboxamide | Authors: | Buehrmann, M, Rauh, D. | Deposit date: | 2016-09-12 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine. Angew. Chem. Int. Ed. Engl., 56, 2017
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5N66
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![BU of 5n66 by Molmil](/molmil-images/mine/5n66) | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | Deposit date: | 2017-02-14 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK. PLoS ONE, 12, 2017
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