6X1Z
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![BU of 6x1z by Molmil](/molmil-images/mine/6x1z) | Mre11 dimer in complex with small molecule modulator PFMJ | Descriptor: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6VBH
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![BU of 6vbh by Molmil](/molmil-images/mine/6vbh) | Human XPG endonuclease catalytic domain | Descriptor: | DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2019-12-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations. Proc.Natl.Acad.Sci.USA, 117, 2020
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6X1Y
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![BU of 6x1y by Molmil](/molmil-images/mine/6x1y) | Mre11 dimer in complex with small molecule modulator PFMI | Descriptor: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclease SbcCD subunit D | Authors: | Arvai, A.S, Moiani, D, Tainer, J.A. | Deposit date: | 2020-05-19 | Release date: | 2020-06-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response. Prog.Biophys.Mol.Biol., 163, 2021
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6WFV
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![BU of 6wfv by Molmil](/molmil-images/mine/6wfv) | The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Guo, H.-F, Tsai, C.-L, Miller, M.D, Phillips Jr, G.N, Tainer, J.A, Kurie, J.M. | Deposit date: | 2020-04-04 | Release date: | 2021-04-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human To Be Published
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6WH2
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![BU of 6wh2 by Molmil](/molmil-images/mine/6wh2) | Structure of the C-terminal BRCT domain of human XRCC1 | Descriptor: | X-ray repair cross complementing protein 1 variant | Authors: | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | Deposit date: | 2020-04-07 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.414 Å) | Cite: | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex. Nucleic Acids Res., 49, 2021
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6WH1
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![BU of 6wh1 by Molmil](/molmil-images/mine/6wh1) | Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains | Descriptor: | DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant | Authors: | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | Deposit date: | 2020-04-07 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex. Nucleic Acids Res., 49, 2021
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5BNG
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![BU of 5bng by Molmil](/molmil-images/mine/5bng) | monomer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA | Descriptor: | DNA (5'-D(P*AP*AP*TP*TP*AP*GP*CP*TP*GP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A)-3'), DNA (5'-D(P*TP*GP*AP*CP*AP*GP*CP*TP*AP*A-3'), ... | Authors: | Morgunova, E, Jolma, A, Yin, Y, Nitta, K, Dave, K, Popov, A, Taipale, M, Enge, M, Kivioja, T, Taipale, J. | Deposit date: | 2015-05-26 | Release date: | 2015-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | DNA-dependent formation of transcription factor pairs alters their binding specificity. Nature, 527, 2015
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5K97
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![BU of 5k97 by Molmil](/molmil-images/mine/5k97) | Flap endonuclease 1 (FEN1) D233N with cleaved product fragment and Sm3+ | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-05-31 | Release date: | 2017-06-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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5KSE
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![BU of 5kse by Molmil](/molmil-images/mine/5kse) | Flap endonuclease 1 (FEN1) R100A with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*AP*AP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2016-07-08 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.105 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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5LUX
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![BU of 5lux by Molmil](/molmil-images/mine/5lux) | Homeobox transcription factor CDX1 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*C)-3'), ... | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-12 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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5LTY
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![BU of 5lty by Molmil](/molmil-images/mine/5lty) | Homeobox transcription factor CDX2 bound to methylated DNA | Descriptor: | DNA (5'-D(P*GP*GP*AP*GP*GP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*CP*CP*TP*CP*C)-3'), Homeobox protein CDX-2 | Authors: | Morgunova, E, Popov, A, Taipale, J. | Deposit date: | 2016-09-07 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Impact of cytosine methylation on DNA binding specificities of human transcription factors. Science, 356, 2017
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7N8W
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![BU of 7n8w by Molmil](/molmil-images/mine/7n8w) | |
6MUJ
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![BU of 6muj by Molmil](/molmil-images/mine/6muj) | Formylglycine generating enzyme bound to copper | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5UM9
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![BU of 5um9 by Molmil](/molmil-images/mine/5um9) | Flap endonuclease 1 (FEN1) D86N with 5'-flap substrate DNA and Sm3+ | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | Authors: | Tsutakawa, S.E, Arvai, A.S, Tainer, J.A. | Deposit date: | 2017-01-26 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.805 Å) | Cite: | Phosphate steering by Flap Endonuclease 1 promotes 5'-flap specificity and incision to prevent genome instability. Nat Commun, 8, 2017
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5KVH
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![BU of 5kvh by Molmil](/molmil-images/mine/5kvh) | Crystal structure of human apoptosis-inducing factor with W196A mutation | Descriptor: | Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.273 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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5KVI
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![BU of 5kvi by Molmil](/molmil-images/mine/5kvi) | Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ... | Authors: | Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A. | Deposit date: | 2016-07-14 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor. Structure, 24, 2016
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5NO6
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![BU of 5no6 by Molmil](/molmil-images/mine/5no6) | TEAD4-HOXB13 complex bound to DNA | Descriptor: | DNA, Homeobox protein Hox-B13, Transcriptional enhancer factor TEF-3 | Authors: | Morgunova, E, Jolma, A, Yin, Y, Popov, A, Taipale, J. | Deposit date: | 2017-04-11 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | TEAD4-HOXB13 complex bound to DNA To Be Published
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6O9M
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![BU of 6o9m by Molmil](/molmil-images/mine/6o9m) | Structure of the human apo TFIIH | Descriptor: | CDK-activating kinase assembly factor MAT1, General transcription factor IIH subunit 1, General transcription factor IIH subunit 2, ... | Authors: | Yan, C.L, Dodd, T, He, Y, Tainer, J.A, Tsutakawa, S.E, Ivanov, I. | Deposit date: | 2019-03-14 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Transcription preinitiation complex structure and dynamics provide insight into genetic diseases. Nat.Struct.Mol.Biol., 26, 2019
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5E7O
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![BU of 5e7o by Molmil](/molmil-images/mine/5e7o) | Crystal structure of the perchlorate reductase PcrAB mutant W461E of PcrA from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO reductase family type II enzyme, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-10-12 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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6AX6
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![BU of 6ax6 by Molmil](/molmil-images/mine/6ax6) | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, IODIDE ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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7N8V
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![BU of 7n8v by Molmil](/molmil-images/mine/7n8v) | |
5CH7
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![BU of 5ch7 by Molmil](/molmil-images/mine/5ch7) | Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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5CHC
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![BU of 5chc by Molmil](/molmil-images/mine/5chc) | Crystal structure of the perchlorate reductase PcrAB - substrate analog SeO3 bound - from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BISELENITE ION, ... | Authors: | Tsai, C.-L, Tainer, J.A. | Deposit date: | 2015-07-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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6AX7
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![BU of 6ax7 by Molmil](/molmil-images/mine/6ax7) | The crystal structure of a lysyl hydroxylase from Acanthamoeba polyphaga mimivirus | Descriptor: | FE (II) ION, Procollagen lysyl hydroxylase and glycosyltransferase | Authors: | Guo, H, Tsai, C, Miller, M.D, Alvarado, S, Tainer, J.A, Phillips Jr, G.N, Kurie, J.M. | Deposit date: | 2017-09-06 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pro-metastatic collagen lysyl hydroxylase dimer assemblies stabilized by Fe2+-binding. Nat Commun, 9, 2018
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6OA3
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![BU of 6oa3 by Molmil](/molmil-images/mine/6oa3) | Structure of human PARG complexed with JA2131 | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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