3KRM
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![BU of 3krm by Molmil](/molmil-images/mine/3krm) | Imp1 kh34 | Descriptor: | GLYCEROL, Insulin-like growth factor 2 mRNA-binding protein 1 | Authors: | Chao, J.A, Singer, R.H, Almo, S.C, Patskovsky, Y. | Deposit date: | 2009-11-18 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | ZBP1 recognition of beta-actin zipcode induces RNA looping. Genes Dev., 24, 2010
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4Y4A
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4Y5N
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![BU of 4y5n by Molmil](/molmil-images/mine/4y5n) | Endothiapepsin in complex with fragment 337 | Descriptor: | 1,2-ETHANEDIOL, 6-[(1S)-1-(azepan-1-yl)ethyl]-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Fu, K, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4YA8
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![BU of 4ya8 by Molmil](/molmil-images/mine/4ya8) | structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394 | Descriptor: | GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2 | Authors: | Recacha, R, Leitans, J, Tars, K, Jaudzems, K. | Deposit date: | 2015-02-17 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
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3KVX
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![BU of 3kvx by Molmil](/molmil-images/mine/3kvx) | JNK3 bound to aminopyrimidine inhibitor, SR-3562 | Descriptor: | Mitogen-activated protein kinase 10, N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline | Authors: | Habel, J.E, Laughlin, J.D, LoGrasso, P. | Deposit date: | 2009-11-30 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, Biological Evaluation, X-ray Structure, and Pharmacokinetics of Aminopyrimidine c-jun-N-terminal Kinase (JNK) Inhibitors J.Med.Chem., 53, 2010
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5B59
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![BU of 5b59 by Molmil](/molmil-images/mine/5b59) | Hen egg-white lysozyme modified with a keto-ABNO. | Descriptor: | (2~{S})-2-azanyl-3-[(2~{R},3~{S})-2-oxidanyl-3-[[(1~{S},5~{R})-3-oxidanylidene-9-azabicyclo[3.3.1]nonan-9-yl]oxy]-1,2-dihydroindol-3-yl]propanal, Lysozyme C | Authors: | Sasaki, D, Seki, Y, Sohma, Y, Oisaki, K, Kanai, M. | Deposit date: | 2016-04-28 | Release date: | 2016-09-14 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transition Metal-Free Tryptophan-Selective Bioconjugation of Proteins J.Am.Chem.Soc., 138, 2016
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3KFJ
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3KK8
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![BU of 3kk8 by Molmil](/molmil-images/mine/3kk8) | CaMKII Substrate Complex A | Descriptor: | Calcium/calmodulin dependent protein kinase II, MAGNESIUM ION | Authors: | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | Deposit date: | 2009-11-04 | Release date: | 2010-02-09 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
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3L1S
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3KKN
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![BU of 3kkn by Molmil](/molmil-images/mine/3kkn) | Crystal structure of H-Ras T35S in complex with GppNHp | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | Deposit date: | 2009-11-06 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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3NH9
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![BU of 3nh9 by Molmil](/molmil-images/mine/3nh9) | Nucleotide Binding Domain of Human ABCB6 (ATP bound structure) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family B member 6, mitochondrial, ... | Authors: | Haffke, M, Menzel, A, Carius, Y, Jahn, D, Heinz, D.W. | Deposit date: | 2010-06-14 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of the nucleotide-binding domain of the human ABCB6 transporter and its complexes with nucleotides. Acta Crystallogr.,Sect.D, 66, 2010
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5AZQ
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![BU of 5azq by Molmil](/molmil-images/mine/5azq) | Crystal structure of cyano-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin | Descriptor: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, CYANIDE ION, ... | Authors: | Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin Inorg.Chem., 55, 2016
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3NML
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![BU of 3nml by Molmil](/molmil-images/mine/3nml) | Sperm whale myoglobin mutant H64W carbonmonoxy-form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Birukou, I, Soman, J, Olson, J.S. | Deposit date: | 2010-06-22 | Release date: | 2010-07-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
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3NC5
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![BU of 3nc5 by Molmil](/molmil-images/mine/3nc5) | CYP134A1 structure with an open substrate binding loop | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | Authors: | Cryle, M.J, Schlichting, I. | Deposit date: | 2010-06-04 | Release date: | 2010-08-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase. Biochemistry, 49, 2010
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5ARL
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5AQE
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![BU of 5aqe by Molmil](/molmil-images/mine/5aqe) | Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling Heckase | Descriptor: | (4-VINYLPHENYL)METHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Sharma, M, Diaz-Rodriguez, A, Offen, W.A, Palm-Espling, M.E, Pordea, A, Wormald, M.R, Mcdonough, M, Davies, G.J, Davis, B.G. | Deposit date: | 2015-09-22 | Release date: | 2015-10-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Bisubstrate Localisation by a Tailored Serine Protease Allows Creation of a Heck-Ase To be Published
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5AP1
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![BU of 5ap1 by Molmil](/molmil-images/mine/5ap1) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, DUAL SPECIFICITY PROTEIN KINASE TTK, GLYCEROL, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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3N9A
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3N9C
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![BU of 3n9c by Molmil](/molmil-images/mine/3n9c) | Mite-y Lysozyme: Marmite | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Newman, J, Peat, T.S. | Deposit date: | 2010-05-28 | Release date: | 2011-06-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mite-y Lysozyme Crystals and Structures To be Published
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5ANI
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![BU of 5ani by Molmil](/molmil-images/mine/5ani) | Crystal structure of CDK2 in complex with 6-chloro-7H-purine processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | 6-chloro-9H-purine, CYCLIN-DEPENDENT KINASE 2 | Authors: | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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3NG6
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![BU of 3ng6 by Molmil](/molmil-images/mine/3ng6) | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | Descriptor: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | Deposit date: | 2010-06-11 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins. J.Biol.Chem., 285, 2010
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5APE
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![BU of 5ape by Molmil](/molmil-images/mine/5ape) | Hen Egg White Lysozyme reference dataset odd frames | Descriptor: | LYSOZYME C, SODIUM ION | Authors: | Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G. | Deposit date: | 2015-09-15 | Release date: | 2016-01-13 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal Struct.Dyn., 2, 2015
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5AZR
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![BU of 5azr by Molmil](/molmil-images/mine/5azr) | Crystal structure of aqua-cobalt(III) tetradehydrocorrin in the heme pocket of horse heart myoglobin | Descriptor: | (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, GLYCEROL, ... | Authors: | Mizohata, E, Morita, Y, Oohora, K, Inoue, T, Hayashi, T. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin Inorg.Chem., 55, 2016
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3NEW
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![BU of 3new by Molmil](/molmil-images/mine/3new) | p38-alpha complexed with Compound 10 | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | Deposit date: | 2010-06-09 | Release date: | 2010-12-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases. Acs Chem.Biol., 6, 2011
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5B1W
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