2XAN
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![BU of 2xan by Molmil](/molmil-images/mine/2xan) | inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with AMP PNP and IP5 | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MAGNESIUM ION, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ... | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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2XAM
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![BU of 2xam by Molmil](/molmil-images/mine/2xam) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with ADP and IP6. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ... | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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2XAR
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![BU of 2xar by Molmil](/molmil-images/mine/2xar) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP6. | Descriptor: | INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ZINC ION | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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2XAO
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![BU of 2xao by Molmil](/molmil-images/mine/2xao) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with IP5 | Descriptor: | INOSITOL-PENTAKISPHOSPHATE 2-KINASE, MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE, ZINC ION | Authors: | Gonzalez, B, Banos-Sanz, J.I, Villate, M, Brearley, C.A, Sanz-Aparicio, J. | Deposit date: | 2010-03-31 | Release date: | 2010-05-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase is a Distant Ipk Member with a Singular Inositide Binding Site for Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.USA, 107, 2010
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4D2G
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![BU of 4d2g by Molmil](/molmil-images/mine/4d2g) | Crystal structure of human PCNA in complex with p15 peptide | Descriptor: | P15, PROLIFERATING CELL NUCLEAR ANTIGEN | Authors: | DeBiasio, A, Ibanez, A, Mortuza, G, Molina, R, Cordeiro, T.N, Castillo, F, Villate, M, Merino, N, Lelli, M, Diercks, T, Luque, I, Bernardo, P, Montoya, G, Blanco, F.J. | Deposit date: | 2014-05-09 | Release date: | 2015-03-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of P15(Paf)-PCNA Complex and Implications for Clamp Sliding During DNA Replication and Repair. Nat.Commun., 6, 2015
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4AFL
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![BU of 4afl by Molmil](/molmil-images/mine/4afl) | The crystal structure of the ING4 dimerization domain reveals the functional organization of the ING family of chromatin binding proteins. | Descriptor: | INHIBITOR OF GROWTH PROTEIN 4 | Authors: | Culurgioni, S, Munoz, I.G, Moreno, A, Palacios, A, Villate, M, Palmero, I, Montoya, G, Blanco, F.J. | Deposit date: | 2012-01-19 | Release date: | 2012-02-22 | Last modified: | 2012-07-11 | Method: | X-RAY DIFFRACTION (2.275 Å) | Cite: | Crystal Structure of Inhibitor of Growth 4 (Ing4) Dimerization Domain Reveals Functional Organization of Ing Family of Chromatin-Binding Proteins. J.Biol.Chem., 287, 2012
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8OZZ
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![BU of 8ozz by Molmil](/molmil-images/mine/8ozz) | |
6TE1
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![BU of 6te1 by Molmil](/molmil-images/mine/6te1) | Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | Descriptor: | 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Pasqualato, S, Cecatiello, V. | Deposit date: | 2019-11-11 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models. Acs Med.Chem.Lett., 11, 2020
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5LGT
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![BU of 5lgt by Molmil](/molmil-images/mine/5lgt) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15 | Descriptor: | 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-08 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LHI
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![BU of 5lhi by Molmil](/molmil-images/mine/5lhi) | Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-12 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LHG
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![BU of 5lhg by Molmil](/molmil-images/mine/5lhg) | Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-11 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LGU
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![BU of 5lgu by Molmil](/molmil-images/mine/5lgu) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | Descriptor: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-08 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LHH
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![BU of 5lhh by Molmil](/molmil-images/mine/5lhh) | Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide | Descriptor: | 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Cecatiello, V, Pasqualato, S. | Deposit date: | 2016-07-11 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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5LGN
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![BU of 5lgn by Molmil](/molmil-images/mine/5lgn) | Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-07 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration. J. Med. Chem., 60, 2017
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3CES
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![BU of 3ces by Molmil](/molmil-images/mine/3ces) | Crystal Structure of E.coli MnmG (GidA), a Highly-Conserved tRNA Modifying Enzyme | Descriptor: | tRNA uridine 5-carboxymethylaminomethyl modification enzyme gidA | Authors: | Shi, R, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2008-02-29 | Release date: | 2009-03-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.412 Å) | Cite: | Structure-function analysis of Escherichia coli MnmG (GidA), a highly conserved tRNA-modifying enzyme. J.Bacteriol., 191, 2009
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2MP9
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![BU of 2mp9 by Molmil](/molmil-images/mine/2mp9) | Solution structure of an potent antifungal peptide Cm-p5 derived from C. muricatus | Descriptor: | Antifungal peptide | Authors: | Sun, Z.J, Heffron, G, Mcbeth, C, Wagner, G, Otero-Gonzales, A.J, Starnbach, M.N. | Deposit date: | 2014-05-14 | Release date: | 2015-08-12 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Cm-p5: an antifungal hydrophilic peptide derived from the coastal mollusk Cenchritis muricatus (Gastropoda: Littorinidae). Faseb J., 29, 2015
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6EHT
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![BU of 6eht by Molmil](/molmil-images/mine/6eht) | Modulation of PCNA sliding surface by p15PAF suggests a suppressive mechanism for cisplatin-induced DNA lesion bypass by pol eta holoenzyme | Descriptor: | DNA (5'-D(P*AP*TP*AP*CP*GP*AP*TP*GP*GP*G)-3'), DNA (5'-D(P*CP*CP*CP*AP*TP*CP*GP*TP*AP*T)-3'), PCNA-associated factor, ... | Authors: | De March, M, Barrera-Vilarmau, S, Mentegari, E, Merino, N, Bressan, E, Maga, G, Crehuet, R, Onesti, S, Blanco, F.J, De Biasio, A. | Deposit date: | 2017-09-15 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | p15PAF binding to PCNA modulates the DNA sliding surface. Nucleic Acids Res., 46, 2018
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6XWI
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![BU of 6xwi by Molmil](/molmil-images/mine/6xwi) | |
6XXV
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![BU of 6xxv by Molmil](/molmil-images/mine/6xxv) | Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57 | Descriptor: | Antibody C57, Heavy Chain, Light Chain, ... | Authors: | Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F. | Deposit date: | 2020-01-28 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.20116425 Å) | Cite: | De novo protein design enables the precise induction of RSV-neutralizing antibodies. Science, 368, 2020
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6VTW
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![BU of 6vtw by Molmil](/molmil-images/mine/6vtw) | |
3MXA
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![BU of 3mxa by Molmil](/molmil-images/mine/3mxa) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*C)-3'), DNA (5'-D(P*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G. | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus. Nucleic Acids Res., 39, 2011
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3MXB
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![BU of 3mxb by Molmil](/molmil-images/mine/3mxb) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G. | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus. Nucleic Acids Res., 39, 2011
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3MX9
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![BU of 3mx9 by Molmil](/molmil-images/mine/3mx9) | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ... | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G. | Deposit date: | 2010-05-07 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus. Nucleic Acids Res., 39, 2011
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5ME8
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![BU of 5me8 by Molmil](/molmil-images/mine/5me8) | N-terminal domain of the human tumor suppressor ING5 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Inhibitor of growth protein 5 | Authors: | Roversi, P, Blanco, F.J, Rojas, A.L, Buitrago, J.A.R. | Deposit date: | 2016-11-14 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark. J.Mol.Biol., 431, 2019
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5MTO
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![BU of 5mto by Molmil](/molmil-images/mine/5mto) | N-terminal domain of the human tumor suppressor ING5 C19S mutant | Descriptor: | Inhibitor of growth protein 5, SODIUM ION, SULFATE ION | Authors: | Ormaza, G, Buitrago, J.A.R, Roversi, P, Rojas, A.L, Blanco, F.J. | Deposit date: | 2017-01-10 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark. J.Mol.Biol., 431, 2019
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