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2XIO
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BU of 2xio by Molmil
Structure of putative deoxyribonuclease TATDN1 isoform a
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, PUTATIVE DEOXYRIBONUCLEASE TATDN1, ...
Authors:Muniz, J.R.C, Cocking, R, Puranik, S, Krojer, T, Raynor, J, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Yue, W.W, Kavanagh, K.L, Oppermann, U.
Deposit date:2010-06-30
Release date:2010-07-14
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structure of Putative Deoxyribonuclease Tatdn1 Isoform A
To be Published
3RNJ
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BU of 3rnj by Molmil
Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
Descriptor: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
Authors:Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
To be Published
4AZ9
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BU of 4az9 by Molmil
Crystal structure of phox homology domain of human sorting nexin 24
Descriptor: 1,2-ETHANEDIOL, SORTING NEXIN-24
Authors:Oberholzer, A.E, Kiyani, W, Krojer, T, Shrestha, L, von Delft, F, Froese, D.S, Chaikuad, A, Raynor, J, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2012-06-24
Release date:2012-10-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Phox Homology Domain of Human Sorting Nexin 24
To be Published
4USD
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BU of 4usd by Molmil
Human STK10 (LOK) with SB-633825
Descriptor: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
4USE
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BU of 4use by Molmil
Human STK10 (LOK) with SB-633825
Descriptor: 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine, SERINE/THREONINE-PROTEIN KINASE 10
Authors:Elkins, J.M, Salah, E, Szklarz, M, von Delft, F, Canning, P, Raynor, J, Bountra, C, Edwards, A.M, Knapp, S.
Deposit date:2014-07-07
Release date:2015-07-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comprehensive Characterization of the Published Kinase Inhibitor Set.
Nat.Biotechnol., 34, 2016
2YD0
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BU of 2yd0 by Molmil
Crystal structure of the soluble domain of human endoplasmic reticulum aminopeptidase 1 ERAP1
Descriptor: 1,2-ETHANEDIOL, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vollmar, M, Kochan, G, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Raynor, J, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S.
Deposit date:2011-03-17
Release date:2011-04-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of the Endoplasmic Reticulum Aminopeptidase-1 (Erap1) Reveal the Molecular Basis for N-Terminal Peptide Trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011
3Q4T
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BU of 3q4t by Molmil
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin
Descriptor: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-2A, ...
Authors:Chaikuad, A, Alfano, I, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Krojer, T, Muniz, J.R.C, Raynor, J, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-12-24
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Small Molecules Dorsomorphin and LDN-193189 Inhibit Myostatin/GDF8 Signaling and Promote Functional Myoblast Differentiation.
J.Biol.Chem., 290, 2015
4B9D
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BU of 4b9d by Molmil
Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ...
Authors:Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S.
Deposit date:2012-09-04
Release date:2012-09-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin.
Sci Rep, 7, 2017
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
3QNF
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BU of 3qnf by Molmil
Crystal structure of the open state of human endoplasmic reticulum aminopeptidase 1 ERAP1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, ZINC ION, ...
Authors:Vollmar, M, Kochan, G, Krojer, T, Harvey, D, Chaikuad, A, Allerston, C, Muniz, J.R.C, Raynor, J, Ugochukwu, E, Berridge, G, Wordsworth, B.P, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2011-02-08
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of the endoplasmic reticulum aminopeptidase-1 (ERAP1) reveal the molecular basis for N-terminal peptide trimming.
Proc.Natl.Acad.Sci.USA, 108, 2011
4ASC
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BU of 4asc by Molmil
Crystal structure of the Kelch domain of human KBTBD5
Descriptor: 1,2-ETHANEDIOL, KELCH REPEAT AND BTB DOMAIN-CONTAINING PROTEIN 5
Authors:Canning, P, Ayinampudi, V, Krojer, T, Strain-Damerell, C, Raynor, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2012-04-30
Release date:2012-05-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Cul3 Assembly with the Btb-Kelch Family of E3 Ubiquitin Ligases.
J.Biol.Chem., 288, 2013

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