6RON
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3MVL
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![BU of 3mvl by Molmil](/molmil-images/mine/3mvl) | P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K | Descriptor: | 4-{[5-(cyclopropylcarbamoyl)-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 (2.8 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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3MW1
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![BU of 3mw1 by Molmil](/molmil-images/mine/3mw1) | p38 kinase Crystal structure in complex with small molecule inhibitor | Descriptor: | 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide, Mitogen-activated protein kinase 14 | Authors: | Segarra, V, Caturla, F, Lumeras, W, Roca, R, Fisher, M, Lamers, M. | Deposit date: | 2010-05-05 | Release date: | 2011-04-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | 1,7-Naphthyridine 1-Oxides as Novel Potent and Selective Inhibitors of p38 Mitogen Activated Protein Kinase J.Med.Chem., 54, 2011
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3MVR
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4ZY6
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6RT1
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![BU of 6rt1 by Molmil](/molmil-images/mine/6rt1) | Native tetragonal lysozyme - home source data | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Pereira, P.J.B. | Deposit date: | 2019-05-22 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.336 Å) | Cite: | Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions. Phys Chem Chem Phys, 22, 2020
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3MWZ
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3MWS
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![BU of 3mws by Molmil](/molmil-images/mine/3mws) | Crystal Structure of Group N HIV-1 Protease | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, HIV-1 Protease | Authors: | Sayer, J.M, Agniswamy, J, Weber, I.T, Louis, J.M. | Deposit date: | 2010-05-06 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Autocatalytic maturation, physical/chemical properties, and crystal structure of group N HIV-1 protease: relevance to drug resistance. Protein Sci., 19, 2010
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3MX8
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![BU of 3mx8 by Molmil](/molmil-images/mine/3mx8) | Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, LINKER, ... | Authors: | Leich, F, Neumann, P, Lilie, H, Ulbrich-Hofmann, R, Arnold, U. | Deposit date: | 2010-05-07 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor Febs J., 278, 2011
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3MXH
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![BU of 3mxh by Molmil](/molmil-images/mine/3mxh) | Native structure of a c-di-GMP riboswitch from V. cholerae | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, U1 small nuclear ribonucleoprotein A, ... | Authors: | Strobel, S.A, Smith, K.D. | Deposit date: | 2010-05-07 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch . Biochemistry, 49, 2010
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6ROZ
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3MYG
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![BU of 3myg by Molmil](/molmil-images/mine/3myg) | Aurora A Kinase complexed with SCH 1473759 | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | Deposit date: | 2010-05-10 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core. ACS Med Chem Lett, 1, 2010
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6RP5
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![BU of 6rp5 by Molmil](/molmil-images/mine/6rp5) | Crystal structure of monocarboxylated hemoglobin from the sub-Antarctic fish Eleginops maclovinus | Descriptor: | CARBON MONOXIDE, DITHIONITE, Hemoglobin subunit alpha 1, ... | Authors: | Balasco, N, Vitagliano, L, Merlino, A, Verde, C, Mazzarella, L, Vergara, A. | Deposit date: | 2019-05-13 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | The unique structural features of carbonmonoxy hemoglobin from the sub-Antarctic fish Eleginops maclovinus. Sci Rep, 9, 2019
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3MYN
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![BU of 3myn by Molmil](/molmil-images/mine/3myn) | Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin | Descriptor: | CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Bowden, E.F, de Serrano, V.S, D'Antonio, E.L, Franzen, S. | Deposit date: | 2010-05-10 | Release date: | 2011-04-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Functional consequences of the creation of an Asp-His-Fe triad in a 3/3 globin. Biochemistry, 50, 2011
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6RQ4
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![BU of 6rq4 by Molmil](/molmil-images/mine/6rq4) | Inhibitor of ERK2 | Descriptor: | 6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | O'Reilly, M. | Deposit date: | 2019-05-15 | Release date: | 2019-12-04 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dual-Mechanism ERK1/2 Inhibitors Exploit a Distinct Binding Mode to Block Phosphorylation and Nuclear Accumulation of ERK1/2. Mol.Cancer Ther., 19, 2020
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6RQE
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![BU of 6rqe by Molmil](/molmil-images/mine/6rqe) | CYP121 in complex with 3-acetylene dicyclotyrosine | Descriptor: | 3-acetylene dicyclotyrosine, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structure-Activity Relationships ofcyclo(l-Tyrosyl-l-tyrosine) Derivatives Binding toMycobacterium tuberculosisCYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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3MTL
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![BU of 3mtl by Molmil](/molmil-images/mine/3mtl) | Crystal structure of the PCTAIRE1 kinase in complex with Indirubin E804 | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cell division protein kinase 16 | Authors: | Krojer, T, Sharpe, T.D, Roos, A, Savitsky, P, Amos, A, Ayinampudi, V, Berridge, G, Fedorov, O, Keates, T, Phillips, C, Burgess-Brown, N, Zhang, Y, Pike, A.C.W, Muniz, J, Vollmar, M, Thangaratnarajah, C, Rellos, P, Ugochukwu, E, Filippakopoulos, P, Yue, W, Das, S, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | Deposit date: | 2010-04-30 | Release date: | 2010-06-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibitor specificity of the PCTAIRE-family kinase CDK16. Biochem.J., 474, 2017
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4Y3H
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6RUG
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4YH0
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6RUN
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9BKF
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4YI9
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4Y51
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![BU of 4y51 by Molmil](/molmil-images/mine/4y51) | Endothiapepsin in complex with fragment 52 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2015-02-11 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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3MWQ
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