4Z8L
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![BU of 4z8l by Molmil](/molmil-images/mine/4z8l) | Crystal structure of DCAF1/SIV-MND VPX/MND SAMHD1 NTD ternary complex | Descriptor: | Protein VPRBP, SAM domain and HD domain-containing protein, Vpx protein, ... | Authors: | Koharudin, L.M, Wu, Y, Calero, G, Ahn, J, Gronenborn, A.M. | Deposit date: | 2015-04-09 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of Clade-specific Engagement of SAMHD1 (Sterile alpha Motif and Histidine/Aspartate-containing Protein 1) Restriction Factors by Lentiviral Viral Protein X (Vpx) Virulence Factors. J.Biol.Chem., 290, 2015
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7ABF
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![BU of 7abf by Molmil](/molmil-images/mine/7abf) | Human pre-Bact-1 spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-07 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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4Z4M
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4BUE
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![BU of 4bue by Molmil](/molmil-images/mine/4bue) | Crystal structure of human tankyrase 2 in complex with 3-methyl-N-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)butanamide | Descriptor: | 3-METHYL-N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL)BUTANAMIDE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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5YU2
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![BU of 5yu2 by Molmil](/molmil-images/mine/5yu2) | Structure of Ribonuclease YabJ | Descriptor: | Translation initiation inhibitor homologue | Authors: | Kim, H.J, Kwon, A.R, Lee, B.J. | Deposit date: | 2017-11-20 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A novel chlorination-induced ribonuclease YabJ fromStaphylococcus aureus. Biosci. Rep., 38, 2018
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5OOB
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4BUT
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![BU of 4but by Molmil](/molmil-images/mine/4but) | Crystal structure of human tankyrase 2 in complex with 4-(4-oxo-3,4- dihydroquinazolin-2-yl)benzene-1-sulfonamide | Descriptor: | 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4ZGZ
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4ZHI
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4OBO
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![BU of 4obo by Molmil](/molmil-images/mine/4obo) | MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | Authors: | Harris, S.F, Wu, P, Coons, M. | Deposit date: | 2014-01-07 | Release date: | 2014-04-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
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4BU5
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![BU of 4bu5 by Molmil](/molmil-images/mine/4bu5) | Crystal structure of human tankyrase 2 in complex with 2-(4- hydroxyphenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-hydroxyphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BU6
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![BU of 4bu6 by Molmil](/molmil-images/mine/4bu6) | Crystal structure of human tankyrase 2 in complex with 2-(4- aminophenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUY
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![BU of 4buy by Molmil](/molmil-images/mine/4buy) | Crystal structure of human tankyrase 2 in complex with 5-methyl-5-(4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl)imidazolidine-2,4-dione | Descriptor: | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BVX
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![BU of 4bvx by Molmil](/molmil-images/mine/4bvx) | Crystal structure of the AIMP3-MRS N-terminal domain complex with I3C | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, EUKARYOTIC TRANSLATION ELONGATION FACTOR 1 EPSILON-1, METHIONINE--TRNA LIGASE, ... | Authors: | Cho, H.Y, Seo, W.W, Cho, H.J, Kang, B.S. | Deposit date: | 2013-06-29 | Release date: | 2014-07-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Assembly of Multi-tRNA Synthetase Complex Via Heterotetrameric Glutathione Transferase-Homology Domains. J.Biol.Chem., 290, 2015
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2CB3
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![BU of 2cb3 by Molmil](/molmil-images/mine/2cb3) | Crystal structure of peptidoglycan recognition protein-LE in complex with tracheal cytotoxin (monomeric diaminopimelic acid-type peptidoglycan) | Descriptor: | GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, GLYCEROL, PEPTIDOGLYCAN-RECOGNITION PROTEIN-LE | Authors: | Lim, J.-H, Kim, M.-S, Oh, B.-H. | Deposit date: | 2005-12-29 | Release date: | 2006-01-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Basis for Preferential Recognition of Diaminopimelic Acid-Type Peptidoglycan by a Subset of Peptidoglycan Recognition Proteins J.Biol.Chem., 281, 2006
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3UDD
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![BU of 3udd by Molmil](/molmil-images/mine/3udd) | Tankyrase-1 in complex with small molecule inhibitor | Descriptor: | 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole, GLYCEROL, SULFATE ION, ... | Authors: | Kirby, C.A, Stams, T. | Deposit date: | 2011-10-28 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | [1,2,4]triazol-3-ylsulfanylmethyl)-3-phenyl-[1,2,4]oxadiazoles: antagonists of the Wnt pathway that inhibit tankyrases 1 and 2 via novel adenosine pocket binding. J.Med.Chem., 55, 2012
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4ZN7
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![BU of 4zn7 by Molmil](/molmil-images/mine/4zn7) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Diethylstilbestrol | Descriptor: | DIETHYLSTILBESTROL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.934 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5ND4
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![BU of 5nd4 by Molmil](/molmil-images/mine/5nd4) | Microtubule-bound MKLP2 motor domain in the presence of ADP.AlFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | Deposit date: | 2017-03-07 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry. Elife, 6, 2017
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5ND2
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![BU of 5nd2 by Molmil](/molmil-images/mine/5nd2) | Microtubule-bound MKLP2 motor domain in the presence of ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Yu, I.M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | Deposit date: | 2017-03-07 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.8 Å) | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry. Elife, 6, 2017
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4LJO
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![BU of 4ljo by Molmil](/molmil-images/mine/4ljo) | Structure of an active ligase (HOIP)/ubiquitin transfer complex | Descriptor: | E3 ubiquitin-protein ligase RNF31, IMIDAZOLE, Polyubiquitin-C, ... | Authors: | Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K. | Deposit date: | 2013-07-05 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.564 Å) | Cite: | Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP. Nature, 503, 2013
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6RQ9
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![BU of 6rq9 by Molmil](/molmil-images/mine/6rq9) | CYP121 in complex with O-methyl dicyclotyrosine | Descriptor: | (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... | Authors: | Poddar, H, Levy, C. | Deposit date: | 2019-05-15 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
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4ZIE
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![BU of 4zie by Molmil](/molmil-images/mine/4zie) | Crystal Structure of core/latch dimer of Bax in complex with BimBH3 | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11 | Authors: | Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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6RX4
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![BU of 6rx4 by Molmil](/molmil-images/mine/6rx4) | THE STRUCTURE OF BD OXIDASE FROM ESCHERICHIA COLI | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | Authors: | Rasmussen, T, Boettcher, B, Thesseling, A, Friedrich, T. | Deposit date: | 2019-06-07 | Release date: | 2019-11-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Homologous bd oxidases share the same architecture but differ in mechanism. Nat Commun, 10, 2019
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6M9L
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![BU of 6m9l by Molmil](/molmil-images/mine/6m9l) | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10 | Descriptor: | 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14 | Authors: | Lane, W, Okada, K. | Deposit date: | 2018-08-23 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1. Chemmedchem, 14, 2019
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4ZIH
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![BU of 4zih by Molmil](/molmil-images/mine/4zih) | Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini | Descriptor: | Apoptosis regulator BAX, Bcl-2-like protein 11 | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | Deposit date: | 2015-04-28 | Release date: | 2015-07-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis, 6, 2015
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