9B3R
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![BU of 9b3r by Molmil](/molmil-images/mine/9b3r) | The structure of human cardiac F-actin | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of human cardiac actin To Be Published
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6RT9
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![BU of 6rt9 by Molmil](/molmil-images/mine/6rt9) | |
9BKG
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9F4R
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![BU of 9f4r by Molmil](/molmil-images/mine/9f4r) | UP1 in complex with Z802821712 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-6-methylpyridazin-3-amine | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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6RVE
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![BU of 6rve by Molmil](/molmil-images/mine/6rve) | Co-substituted beta-Keggin bound to Proteinase K solved by MR | Descriptor: | Co-substituted beta-Keggin, Proteinase K, SULFATE ION, ... | Authors: | Breibeck, J, Bijelic, A, Rompel, A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Transition metal-substituted Keggin polyoxotungstates enabling covalent attachment to proteinase K upon co-crystallization. Chem.Commun.(Camb.), 55, 2019
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3MBA
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![BU of 3mba by Molmil](/molmil-images/mine/3mba) | APLYSIA LIMACINA MYOGLOBIN. CRYSTALLOGRAPHIC ANALYSIS AT 1.6 ANGSTROMS RESOLUTION | Descriptor: | FLUORIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Bolognesi, M, Onesti, S, Gatti, G, Coda, A, Ascenzi, P, Brunori, M. | Deposit date: | 1989-02-22 | Release date: | 1990-01-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aplysia limacina myoglobin. Crystallographic analysis at 1.6 A resolution. J.Mol.Biol., 205, 1989
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6RO5
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![BU of 6ro5 by Molmil](/molmil-images/mine/6ro5) | 1Yr-Y: Lysozyme with Re Cluster 1 year on shelf | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Brink, A, Helliwell, J.R. | Deposit date: | 2019-05-10 | Release date: | 2019-06-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging. Iucrj, 6, 2019
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3MU4
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![BU of 3mu4 by Molmil](/molmil-images/mine/3mu4) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. First step of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | Deposit date: | 2010-05-01 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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6ROY
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![BU of 6roy by Molmil](/molmil-images/mine/6roy) | |
9F7H
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![BU of 9f7h by Molmil](/molmil-images/mine/9f7h) | UP1 in complex with Z45617795 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-phenylethyl)methanesulfonamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-05-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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5A6N
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![BU of 5a6n by Molmil](/molmil-images/mine/5a6n) | Crystal structure of human death associated protein kinase 3 (DAPK3) in complex with compound 2 | Descriptor: | 5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE, DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, ... | Authors: | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | Deposit date: | 2015-06-30 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | De Novo Fragment Design for Drug Discovery and Chemical Biology. Angew.Chem.Int.Ed.Engl., 54, 2015
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3MXD
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![BU of 3mxd by Molmil](/molmil-images/mine/3mxd) | Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease | Descriptor: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2010-05-07 | Release date: | 2010-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones. J.Med.Chem., 53, 2010
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9F4M
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![BU of 9f4m by Molmil](/molmil-images/mine/9f4m) | UP1 in complex with Z1401276297 | Descriptor: | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F7F
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![BU of 9f7f by Molmil](/molmil-images/mine/9f7f) | UP1 in complex with Z1491353358 | Descriptor: | (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-05-03 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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3MU0
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![BU of 3mu0 by Molmil](/molmil-images/mine/3mu0) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. Third step of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | Deposit date: | 2010-05-01 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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3MU8
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![BU of 3mu8 by Molmil](/molmil-images/mine/3mu8) | Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region B of the crystal. Fifth step of radiation damage | Descriptor: | Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION | Authors: | Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A. | Deposit date: | 2010-05-02 | Release date: | 2010-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | X-ray-induced deterioration of disulfide bridges at atomic resolution. Acta Crystallogr.,Sect.D, 66, 2010
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5AAG
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![BU of 5aag by Molmil](/molmil-images/mine/5aag) | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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6RTA
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![BU of 6rta by Molmil](/molmil-images/mine/6rta) | |
9B3Q
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![BU of 9b3q by Molmil](/molmil-images/mine/9b3q) | The structure of the human cardiac F-actin mutant A331P | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | Authors: | Doran, M.H, Sousa, D, Rynkiewicz, M.J, Lehman, W, Cammarato, A. | Deposit date: | 2024-03-20 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of human cardiac actin To Be Published
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3MXC
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4ZSL
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![BU of 4zsl by Molmil](/molmil-images/mine/4zsl) | MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR | Descriptor: | 3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide, GLYCEROL, Mitogen-activated protein kinase 7 | Authors: | Ogg, D.J, Tucker, J. | Deposit date: | 2015-05-13 | Release date: | 2016-05-04 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site. Acta Crystallogr D Struct Biol, 72, 2016
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6RFP
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![BU of 6rfp by Molmil](/molmil-images/mine/6rfp) | ERK2 MAP kinase with mutations at Helix-G | Descriptor: | Mitogen-activated protein kinase 1 | Authors: | Livnah, O, Eitan-Wexler, M. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
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3MVC
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![BU of 3mvc by Molmil](/molmil-images/mine/3mvc) | High resolution crystal structure of the heme domain of GLB-6 from C. elegans | Descriptor: | Globin protein 6, NITRATE ION, PRASEODYMIUM ION, ... | Authors: | Yoon, J, Herzik Jr, M.A, Winter, M.B, Tran, R, Olea Jr, C, Marletta, M.A. | Deposit date: | 2010-05-03 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structure and properties of a bis-histidyl ligated globin from Caenorhabditis elegans. Biochemistry, 49, 2010
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3MXY
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3MVM
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![BU of 3mvm by Molmil](/molmil-images/mine/3mvm) | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V | Descriptor: | 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Sack, J.S. | Deposit date: | 2010-05-04 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases J.Med.Chem., 53, 2010
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