5RL7
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![BU of 5rl7 by Molmil](/molmil-images/mine/5rl7) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364321922 | Descriptor: | 5-(acetylamino)-2-fluorobenzoic acid, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RLN
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![BU of 5rln by Molmil](/molmil-images/mine/5rln) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z364328788 | Descriptor: | 3-(acetylamino)-4-fluorobenzoic acid, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RM5
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![BU of 5rm5 by Molmil](/molmil-images/mine/5rm5) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z373768900 | Descriptor: | Helicase, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5RMI
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![BU of 5rmi by Molmil](/molmil-images/mine/5rmi) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53860899 | Descriptor: | Helicase, PHOSPHATE ION, ZINC ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.116 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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6QZL
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![BU of 6qzl by Molmil](/molmil-images/mine/6qzl) | Structure of the H1 domain of human KCTD12 | Descriptor: | BTB/POZ domain-containing protein KCTD12 | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-11 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure of the H1 domain of human KCTD12 To be published
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4UUC
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![BU of 4uuc by Molmil](/molmil-images/mine/4uuc) | Crystal structure of human ASB11 ankyrin repeat domain | Descriptor: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | Authors: | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-07-25 | Release date: | 2014-08-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Human Asb11 Ankyrin Repeat Domain To be Published
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2VPT
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![BU of 2vpt by Molmil](/molmil-images/mine/2vpt) | Clostridium thermocellum family 3 carbohydrate esterase | Descriptor: | CALCIUM ION, LIPOLYTIC ENZYME | Authors: | Correia, M.A.S, Prates, J.A.M, Bras, J, Fontes, C.M.G.A, Newman, J.A, Lewis, R.J, Gilbert, H.J, Flint, J.E. | Deposit date: | 2008-03-04 | Release date: | 2008-05-06 | Last modified: | 2012-01-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a Cellulosomal Family 3 Carbohydrate Esterase from Clostridium Thermocellum Provides Insights Into the Mechanism of Substrate Recognition J.Mol.Biol., 379, 2008
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3K8Z
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![BU of 3k8z by Molmil](/molmil-images/mine/3k8z) | Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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3K92
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![BU of 3k92 by Molmil](/molmil-images/mine/3k92) | Crystal structure of a E93K mutant of the majour Bacillus subtilis glutamate dehydrogenase RocG | Descriptor: | DI(HYDROXYETHYL)ETHER, NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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8C8S
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![BU of 8c8s by Molmil](/molmil-images/mine/8c8s) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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8C8B
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![BU of 8c8b by Molmil](/molmil-images/mine/8c8b) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48). | Descriptor: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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8C8D
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![BU of 8c8d by Molmil](/molmil-images/mine/8c8d) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 44). To Be Published
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6XTJ
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![BU of 6xtj by Molmil](/molmil-images/mine/6xtj) | The high resolution structure of the FERM domain of human FERMT2 | Descriptor: | CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-16 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structure of the FERM domain of human FERMT2 To Be Published
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4UML
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![BU of 4uml by Molmil](/molmil-images/mine/4uml) | Crystal structure of ganglioside induced differentiation associated protein 2 (GDAP2) macro domain | Descriptor: | GANGLIOSIDE-INDUCED DIFFERENTIATION-ASSOCIATED PROTEIN 2 | Authors: | Elkins, J.M, Wang, J, Kopec, J, Wang, D, Strain-Damerell, C, Shrestha, L, Sieg, C, Tallant, C, Newman, J.A, von Delft, F, Bountra, C, Edwards, A, Knapp, S. | Deposit date: | 2014-05-19 | Release date: | 2014-05-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Gdap2 To be Published
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6IBE
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![BU of 6ibe by Molmil](/molmil-images/mine/6ibe) | The FERM domain of Human EPB41L3 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Band 4.1-like protein 3 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2018-11-29 | Release date: | 2018-12-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The FERM domain of Human EPB41L3 To Be Published
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6HRL
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![BU of 6hrl by Molmil](/molmil-images/mine/6hrl) | Crystal structure of the Kelch domain of human KLHL17 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ... | Authors: | Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N. | Deposit date: | 2018-09-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the Kelch domain of human KLHL17 To Be Published
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7AFS
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![BU of 7afs by Molmil](/molmil-images/mine/7afs) | The structure of Artemis variant D37A | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AGI
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![BU of 7agi by Molmil](/molmil-images/mine/7agi) | The structure of Artemis variant H35D | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-22 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7APV
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![BU of 7apv by Molmil](/molmil-images/mine/7apv) | Structure of Artemis/DCLRE1C/SNM1C in complex with Ceftriaxone | Descriptor: | 1,2-ETHANEDIOL, Ceftriaxone, NICKEL (II) ION, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-20 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AF1
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![BU of 7af1 by Molmil](/molmil-images/mine/7af1) | The structure of Artemis/SNM1C/DCLRE1C with 2 Zinc ions | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-19 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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7AFU
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![BU of 7afu by Molmil](/molmil-images/mine/7afu) | The structure of Artemis variant H33A | Descriptor: | 1,2-ETHANEDIOL, Protein artemis, ZINC ION | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-20 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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5DKD
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![BU of 5dkd by Molmil](/molmil-images/mine/5dkd) | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | Deposit date: | 2015-09-03 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe To Be Published
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6RBJ
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![BU of 6rbj by Molmil](/molmil-images/mine/6rbj) | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | Authors: | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-04-10 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol To Be Published
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6S4L
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![BU of 6s4l by Molmil](/molmil-images/mine/6s4l) | Structure of human KCTD1 | Descriptor: | BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION | Authors: | Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N. | Deposit date: | 2019-06-28 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structure of human KCTD1 To be published
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6RBI
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![BU of 6rbi by Molmil](/molmil-images/mine/6rbi) | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, Lysine-specific demethylase 5B,Lysine-specific demethylase 5B, ... | Authors: | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-04-10 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of KDM5B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol To Be Published
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