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
 | | 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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6S8Z
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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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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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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7OS0
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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
 | | 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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