5LBZ
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![BU of 5lbz by Molmil](/molmil-images/mine/5lbz) | Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib | Descriptor: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Medard, G, Kuster, B. | Deposit date: | 2016-06-17 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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5LBY
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![BU of 5lby by Molmil](/molmil-images/mine/5lby) | Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib | Descriptor: | 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Schneider, S, Medard, G, Kuester, B. | Deposit date: | 2016-06-17 | Release date: | 2017-11-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The target landscape of clinical kinase drugs. Science, 358, 2017
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7AYX
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![BU of 7ayx by Molmil](/molmil-images/mine/7ayx) | |
6S8Z
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![BU of 6s8z by Molmil](/molmil-images/mine/6s8z) | |
5LCL
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![BU of 5lcl by Molmil](/molmil-images/mine/5lcl) | STRUCTURE OF the RAD14 DNA-binding domain IN COMPLEX WITH C8-aminofluorene- GUANINE CONTAINING DNA | Descriptor: | DNA (5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*G)-3'), DNA repair protein RAD14, GCTCTAC(8AF)TCATCA, ... | Authors: | Schneider, S, Carell, T, Ebert, C, Simon, N. | Deposit date: | 2016-06-22 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into the Recognition of N(2) -Aryl- and C8-Aryl DNA Lesions by the Repair Protein XPA/Rad14. Chembiochem, 18, 2017
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5LIR
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![BU of 5lir by Molmil](/molmil-images/mine/5lir) | |
5LCM
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![BU of 5lcm by Molmil](/molmil-images/mine/5lcm) | STRUCTURE OF the RAD14 DNA-binding domain IN COMPLEX WITH N2-acetylaminonaphtyl- GUANINE CONTAINING DNA | Descriptor: | DNA (5'-D(*GP*CP*TP*CP*TP*AP*CP*(AAN)P*TP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*GP*TP*GP*AP*TP*GP*AP*CP*GP*TP*AP*GP*AP*G)-3'), DNA repair protein RAD14, ... | Authors: | Schneider, S, Ebert, C, Simon, N, Carell, T. | Deposit date: | 2016-06-22 | Release date: | 2017-05-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into the Recognition of N(2) -Aryl- and C8-Aryl DNA Lesions by the Repair Protein XPA/Rad14. Chembiochem, 18, 2017
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4CIS
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![BU of 4cis by Molmil](/molmil-images/mine/4cis) | Structure of MutM in complex with carbocyclic 8-oxo-G containing DNA | Descriptor: | (R,R)-2,3-BUTANEDIOL, DNA, FORMAMIDOPYRIMIDIN DNA GLYCOSYLASE, ... | Authors: | Schneider, S, Sadeghian, K, Flaig, D, Blank, I.D, Strasser, R, Stathis, D, Winnacker, M, Carell, T, Ochsenfeld, C. | Deposit date: | 2013-12-15 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Ribose-protonated DNA base excision repair: a combined theoretical and experimental study. Angew. Chem. Int. Ed. Engl., 53, 2014
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6WGF
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![BU of 6wgf by Molmil](/molmil-images/mine/6wgf) | Atomic model of mutant Mcm2-7 hexamer with Mcm6 WHD truncation | Descriptor: | DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, DNA replication licensing factor MCM4, ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (7.7 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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7U9I
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![BU of 7u9i by Molmil](/molmil-images/mine/7u9i) | Co-crystal structure of human CARM1 in complex with MT556 inhibitor | Descriptor: | 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-10 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human CARM1 in complex with MT556 inhibitor To Be Published
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7T39
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![BU of 7t39 by Molmil](/molmil-images/mine/7t39) | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-12-07 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor To Be Published
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6W4V
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![BU of 6w4v by Molmil](/molmil-images/mine/6w4v) | Structure of anti-ferroportin Fab45D8 | Descriptor: | 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
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6WBV
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![BU of 6wbv by Molmil](/molmil-images/mine/6wbv) | Structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc | Descriptor: | (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, COBALT (II) ION, Fab45D8 Heavy Chain, ... | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-27 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
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6W4S
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![BU of 6w4s by Molmil](/molmil-images/mine/6w4s) | Structure of apo human ferroportin in lipid nanodisc | Descriptor: | Fab45D8 Heavy Chain, Fab45D8 Light Chain, Solute carrier family 40 member 1 | Authors: | Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A. | Deposit date: | 2020-03-11 | Release date: | 2020-09-09 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms. Nature, 586, 2020
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7RBQ
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![BU of 7rbq by Molmil](/molmil-images/mine/7rbq) | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor | Descriptor: | 1,2-ETHANEDIOL, 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9, ... | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-06 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Co-crystal structure of human PRMT9 in complex with MT556 inhibitor To Be Published
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6WGI
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![BU of 6wgi by Molmil](/molmil-images/mine/6wgi) | Atomic model of the mutant OCCM (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) loaded on DNA at 10.5 A resolution | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (34-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGG
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![BU of 6wgg by Molmil](/molmil-images/mine/6wgg) | Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (8.1 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGC
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![BU of 6wgc by Molmil](/molmil-images/mine/6wgc) | Atomic model of semi-attached mutant OCCM-DNA complex (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | Descriptor: | Cell division control protein 6, DNA (41-MER), DNA replication licensing factor MCM3, ... | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | Deposit date: | 2020-04-05 | Release date: | 2020-07-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6. Proc.Natl.Acad.Sci.USA, 117, 2020
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5OL1
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![BU of 5ol1 by Molmil](/molmil-images/mine/5ol1) | Crystal structure of an inactivated Ssp SICLOPPS intein with a CAFHPQ extein | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
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5OL6
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![BU of 5ol6 by Molmil](/molmil-images/mine/5ol6) | |
5OL5
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![BU of 5ol5 by Molmil](/molmil-images/mine/5ol5) | Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
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5OL7
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![BU of 5ol7 by Molmil](/molmil-images/mine/5ol7) | |
7OS0
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![BU of 7os0 by Molmil](/molmil-images/mine/7os0) | |
2WB2
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![BU of 2wb2 by Molmil](/molmil-images/mine/2wb2) | Drosophila Melanogaster (6-4) Photolyase Bound To double stranded Dna containing a T(6-4)C Photolesion | Descriptor: | 5'-D(*AP*CP*AP*GP*CP*GP*GP*64PP*ZP*GP*CP*AP *GP*GP*T)-3', 5'-D(*TP*AP*CP*CP*TP*GP*CP*GP*AP*CP*CP*GP*CP*TP*G)-3', FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Glas, A.F, Schneider, S, Maul, M.J, Hennecke, U, Carell, T. | Deposit date: | 2009-02-20 | Release date: | 2009-03-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the T(6-4)C Lesion in Complex with a (6-4) DNA Photolyase and Repair of Uv- Induced (6-4) and Dewar Photolesions. Chemistry, 15, 2009
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5AC2
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![BU of 5ac2 by Molmil](/molmil-images/mine/5ac2) | human aldehyde dehydrogenase 1A1 with duocarmycin analog | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, RETINAL DEHYDROGENASE 1, YTTERBIUM (III) ION, ... | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | Deposit date: | 2015-08-11 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues. Angew.Chem.Int.Ed.Engl., 54, 2015
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