1YM0
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![BU of 1ym0 by Molmil](/molmil-images/mine/1ym0) | Crystal Structure of Earthworm Fibrinolytic Enzyme Component B: a Novel, Glycosylated Two-chained Trypsin | Descriptor: | MAGNESIUM ION, SULFATE ION, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, F, Wang, C, Li, M, Zhang, J.P, Gui, L.L, An, X.M, Chang, W.R. | Deposit date: | 2005-01-20 | Release date: | 2005-04-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of earthworm fibrinolytic enzyme component B: a novel, glycosylated two-chained trypsin. J.Mol.Biol., 348, 2005
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1YN8
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1JSV
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1W14
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![BU of 1w14 by Molmil](/molmil-images/mine/1w14) | UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL-N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]-1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Jacob, U. | Deposit date: | 2004-06-15 | Release date: | 2008-05-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors. J.Mol.Biol., 328, 2003
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1W1X
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![BU of 1w1x by Molmil](/molmil-images/mine/1w1x) | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 277 K. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2004-06-24 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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2C8P
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![BU of 2c8p by Molmil](/molmil-images/mine/2c8p) | lysozyme (60sec) and UV laser excited fluorescence | Descriptor: | LYSOZYME C | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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2CDZ
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![BU of 2cdz by Molmil](/molmil-images/mine/2cdz) | CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH CGP74514A | Descriptor: | CHLORIDE ION, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE, SERINE/THREONINE-PROTEIN KINASE PAK 4, ... | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2006-01-31 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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2CI0
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![BU of 2ci0 by Molmil](/molmil-images/mine/2ci0) | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | Descriptor: | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | Deposit date: | 2006-03-16 | Release date: | 2007-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51, 2007
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1JF4
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![BU of 1jf4 by Molmil](/molmil-images/mine/1jf4) | Crystal Structure Of Component IV Glycera Dibranchiata Monomeric Hemoglobin | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, monomer hemoglobin component IV | Authors: | Park, H.J, Yang, C, Treff, N, Satterlee, J.D, Kang, C.H. | Deposit date: | 2001-06-20 | Release date: | 2002-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structures of Unligated and CN-Ligated Glycera dibranchiata Monomer
Ferric Hemoglobin Components III and IV Proteins, 49, 2002
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2X8I
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![BU of 2x8i by Molmil](/molmil-images/mine/2x8i) | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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1VED
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![BU of 1ved by Molmil](/molmil-images/mine/1ved) | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.9 angstroms resolution in space | Descriptor: | Lysozyme C | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Yamane, T, DeLucas, L.J, Hirose, M. | Deposit date: | 2004-03-30 | Release date: | 2004-04-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.9 angstroms resolution in space To be Published
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2W1D
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![BU of 2w1d by Molmil](/molmil-images/mine/2w1d) | Structure determination of Aurora Kinase in complex with inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | Deposit date: | 2008-10-17 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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2DUT
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1JJO
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2DDJ
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1VJW
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![BU of 1vjw by Molmil](/molmil-images/mine/1vjw) | STRUCTURE OF OXIDOREDUCTASE (NADP+(A),FERREDOXIN(A)) | Descriptor: | FERREDOXIN(A), IRON/SULFUR CLUSTER | Authors: | Macedo-Ribeiro, S, Darimont, B, Sterner, R, Huber, R. | Deposit date: | 1996-10-09 | Release date: | 1996-12-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Small structural changes account for the high thermostability of 1[4Fe-4S] ferredoxin from the hyperthermophilic bacterium Thermotoga maritima. Structure, 4, 1996
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2VNW
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![BU of 2vnw by Molmil](/molmil-images/mine/2vnw) | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | Descriptor: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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2DGS
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![BU of 2dgs by Molmil](/molmil-images/mine/2dgs) | Solution structure of the second RNA binding domain in DAZ-associated protein 1 | Descriptor: | DAZ-associated protein 1 | Authors: | Abe, C, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-15 | Release date: | 2006-09-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the second RNA binding domain in DAZ-associated protein 1 To be Published
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1K2C
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![BU of 1k2c by Molmil](/molmil-images/mine/1k2c) | Combining Mutations in HIV-1 Protease to Understand Mechanisms of Resistance | Descriptor: | N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide, PROTEASE RETROPEPSIN | Authors: | Mahalingam, B, Boross, P, Wang, Y.-F, Louis, J.M, Fischer, C, Tozser, J, W Harrison, R, Weber, I.T. | Deposit date: | 2001-09-26 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Combining mutations in HIV-1 protease to understand mechanisms of resistance. Proteins, 48, 2002
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2VO3
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![BU of 2vo3 by Molmil](/molmil-images/mine/2vo3) | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | Descriptor: | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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1JTT
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![BU of 1jtt by Molmil](/molmil-images/mine/1jtt) | Degenerate interfaces in antigen-antibody complexes | Descriptor: | FORMIC ACID, Lysozyme, SODIUM ION, ... | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | Deposit date: | 2001-08-22 | Release date: | 2001-12-05 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Degenerate interfaces in antigen-antibody complexes. J.Mol.Biol., 313, 2001
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2DIT
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![BU of 2dit by Molmil](/molmil-images/mine/2dit) | Solution structure of the RRM_1 domain of HIV TAT specific factor 1 variant | Descriptor: | HIV TAT specific factor 1 variant | Authors: | Dang, W, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2006-03-30 | Release date: | 2006-09-30 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the RRM_1 domain of HIV TAT specific factor 1 variant To be Published
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3UNK
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![BU of 3unk by Molmil](/molmil-images/mine/3unk) | CDK2 in complex with inhibitor YL5-083 | Descriptor: | 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Cyclin-dependent kinase 2, PHOSPHATE ION | Authors: | Zhu, J.-Y, Martin, M.P, Alam, R, Schonbrunn, E. | Deposit date: | 2011-11-15 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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1JNK
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3UNZ
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![BU of 3unz by Molmil](/molmil-images/mine/3unz) | Aurora A in Complex with RPM1679 | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-fluorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-11-16 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A. Acs Chem.Biol., 7, 2012
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