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8A10
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BU of 8a10 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-05-30
Release date:2022-07-13
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143
To Be Published
8A7N
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BU of 8a7n by Molmil
Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
Descriptor: N-(3-azanylpropyl)-3-[[(3S)-1-(2-fluorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-N-methyl-benzamide, PHOSPHATE ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-06-21
Release date:2022-10-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with (S)-N-(3-aminopropyl)-3-((1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl)amino)-N-methylbenzamide (CF-2-125)
To Be Published
7ZK2
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BU of 7zk2 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with CSC027898502
Descriptor: N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide, PHOSPHATE ION, T-box transcription factor T
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-12
Release date:2022-06-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with CSC027898502
To Be Published
7ZL2
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BU of 7zl2 by Molmil
Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
Descriptor: T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-13
Release date:2022-06-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-039-246-810
To Be Published
7ZKF
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BU of 7zkf by Molmil
Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
Descriptor: PHOSPHATE ION, T-box transcription factor T, UNKNOWN LIGAND
Authors:Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O.
Deposit date:2022-04-12
Release date:2022-06-22
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal Structure of human Brachyury G177D variant in complex with CF-5-86
To Be Published
4V0P
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BU of 4v0p by Molmil
Crystal structure of the MAGE homology domain of human MAGE-A3
Descriptor: MELANOMA-ASSOCIATED ANTIGEN 3
Authors:Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2014-09-17
Release date:2014-10-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
8CDN
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BU of 8cdn by Molmil
Crystal structure of human Brachyury in complex with a single T box binding element DNA
Descriptor: DNA (5'-D(*AP*GP*GP*CP*TP*CP*AP*CP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*GP*TP*GP*AP*GP*CP*CP*T)-3'), T-box transcription factor T
Authors:Newman, J.A, Gavard, A.E, von Delft, F, Gileadi, O, Bountra, C.
Deposit date:2023-01-31
Release date:2023-03-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of human Brachyury in complex with a single T box binding element DNA
To Be Published
8CF0
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BU of 8cf0 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
Descriptor: 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with quinoxalinedione inhibitor H2
To Be Published
8CEW
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BU of 8cew by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
Descriptor: 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione, DIMETHYL SULFOXIDE, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-02
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
To Be Published
8CG9
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BU of 8cg9 by Molmil
Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
Descriptor: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 1-[[(3~{R})-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanyl-thieno[3,2-d]pyrimidine-2,4-dione, DNA cross-link repair 1A protein, ...
Authors:Newman, J.A, Yosaatmadja, Y, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O.
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of human DNA cross-link repair 1A in complex with a cyclic N-hydroxyurea inhibitor
To Be Published
6ZSL
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BU of 6zsl by Molmil
Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution
Descriptor: PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-15
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
6ZU8
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BU of 6zu8 by Molmil
Crystal structure of human Brachyury G177D variant in complex with Afatinib
Descriptor: Brachyury protein, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide, ZINC ION
Authors:Newman, J.A, Gavard, A.E, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-21
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of human Brachyury G177D variant in complex with Afatinib
To Be Published
6YHR
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BU of 6yhr by Molmil
Crystal structure of Werner syndrome helicase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION
Authors:Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-03-30
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
6SXW
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BU of 6sxw by Molmil
Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
Descriptor: SULFATE ION, Zinc finger protein 638
Authors:Newman, J.A, Aitkenhead, H, Wang, D, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2019-09-26
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal structure of the first RRM domain of human Zinc finger protein 638 (ZNF638)
To Be Published
7NIO
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BU of 7nio by Molmil
Crystal structure of the SARS-CoV-2 helicase APO form
Descriptor: SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NN0
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BU of 7nn0 by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-23
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
7NNG
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BU of 7nng by Molmil
Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104
Descriptor: 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ...
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
6GY4
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BU of 6gy4 by Molmil
Crystal structure of the N-terminal KH domain of human BICC1
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ...
Authors:Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-06-28
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Crystal structure of the N-terminal KH domain of human BICC1
To Be Published
6HQ9
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BU of 6hq9 by Molmil
Crystal structure of the Tudor domain of human ERCC6-L2
Descriptor: DNA excision repair protein ERCC-6-like 2
Authors:Newman, J.A, Gavard, A.E, Nathan, W.J, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-09-24
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Crystal structure of the Tudor domain of human ERCC6-L2
To Be Published
5AGA
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BU of 5aga by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta in complex with AMPPNP
Descriptor: CITRATE ANION, DNA POLYMERASE THETA, MAGNESIUM ION, ...
Authors:Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2015-01-29
Release date:2015-02-25
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
5A9F
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BU of 5a9f by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA POLYMERASE THETA, MAGNESIUM ION, ...
Authors:Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2015-07-21
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
5A9J
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BU of 5a9j by Molmil
Crystal structure of the Helicase domain of human DNA polymerase theta, apo-form
Descriptor: DNA POLYMERASE THETA
Authors:Newman, J.A, Cooper, C.D.O, Aitkenhead, H, Pinkas, D.M, Kupinska, K, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2015-07-21
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structure of the Helicase Domain of DNA Polymerase Theta Reveals a Possible Role in the Microhomology-Mediated End-Joining Pathway.
Structure, 23, 2015
5HVQ
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BU of 5hvq by Molmil
Alternative model of the MAGE-G1 NSE-1 complex
Descriptor: Melanoma-associated antigen G1, Non-structural maintenance of chromosomes element 1 homolog, ZINC ION
Authors:Newman, J.A, Cooper, C.D.O, Roos, A.K, Aitkenhead, H, Oppermann, U.C.T, Cho, H.J, Osman, R, Gileadi, O.
Deposit date:2016-01-28
Release date:2016-10-26
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Structures of Two Melanoma-Associated Antigens Suggest Allosteric Regulation of Effector Binding.
Plos One, 11, 2016
6EL8
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BU of 6el8 by Molmil
Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*GP*CP*GP*TP*CP*TP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*AP*GP*AP*CP*GP*CP*CP*AP*CP*C)-3'), Forkhead box protein N1
Authors:Newman, J.A, Aitkenhead, H.A, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2017-09-28
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
To be published
6F59
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BU of 6f59 by Molmil
Crystal structure of human Brachyury (T) G177D variant in complex with DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Brachyury protein, DNA (26-MER), ...
Authors:Newman, J.A, Gavard, A.E, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2017-12-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Crystal structure of human Brachyury (T) G177D variant in complex with DNA
To Be Published

217705

PDB entries from 2024-03-27

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