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4LJO
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BU of 4ljo by Molmil
Structure of an active ligase (HOIP)/ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, IMIDAZOLE, Polyubiquitin-C, ...
Authors:Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.564 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
2AIO
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BU of 2aio by Molmil
Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam
Descriptor: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J.
Deposit date:2005-07-30
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
1O9S
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BU of 1o9s by Molmil
Crystal structure of a ternary complex of the human histone methyltransferase SET7/9
Descriptor: GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ...
Authors:Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J.
Deposit date:2002-12-18
Release date:2003-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9
Nature, 421, 2003
4LJP
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BU of 4ljp by Molmil
Structure of an active ligase (HOIP-H889A)/ubiquitin transfer complex
Descriptor: E3 ubiquitin-protein ligase RNF31, Polyubiquitin-C, ZINC ION
Authors:Rana, R.R, Stieglitz, B, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
4LJQ
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BU of 4ljq by Molmil
Crystal structure of the catalytic core of E3 ligase HOIP
Descriptor: E3 ubiquitin-protein ligase RNF31, ZINC ION
Authors:Stieglitz, B, Rana, R.R, Koliopoulos, M.G, Morris-Davies, A.C, Christodoulou, E, Howell, S, Brown, N.R, Rittinger, K.
Deposit date:2013-07-05
Release date:2013-10-16
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis for ligase-specific conjugation of linear ubiquitin chains by HOIP.
Nature, 503, 2013
6ZYF
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BU of 6zyf by Molmil
Notum_Ghrelin complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Zhao, Y, Jones, E.Y.
Deposit date:2020-07-31
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Notum deacylates octanoylated ghrelin.
Mol Metab, 49, 2021
7PK3
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BU of 7pk3 by Molmil
Notum_ARUK3001185
Descriptor: 1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Vecchia, L, Hillier, J, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-25
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7PKV
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BU of 7pkv by Molmil
Notum_Inhibitor ARUK3000223
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
Authors:Ruza, R, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-26
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
7PJR
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BU of 7pjr by Molmil
Notum_ARUK3000438
Descriptor: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Vecchia, L, Zhao, Y, Fish, P, Jones, E.Y.
Deposit date:2021-08-24
Release date:2022-09-07
Last modified:2023-03-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design of a Potent, Selective, and Brain-Penetrant Inhibitor of Wnt-Deactivating Enzyme Notum by Optimization of a Crystallographic Fragment Hit.
J.Med.Chem., 65, 2022
2JAV
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BU of 2jav by Molmil
Human Kinase with pyrrole-indolinone ligand
Descriptor: 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE NEK2
Authors:Pike, A.C.W, Rellos, P, Das, S, Fedorov, O, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A.P, Gorrec, F, Bray, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Weigelt, J, von Delft, F, Knapp, S.
Deposit date:2006-11-30
Release date:2006-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Regulation of the Human Nek2 Centrosomal Kinase
J.Biol.Chem., 282, 2007
7ZHQ
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BU of 7zhq by Molmil
Crystal structure of TTBK1 in complex with compound 10 (7-009)
Descriptor: (3~{S})-1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7ZHO
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BU of 7zho by Molmil
Crystal structure of TTBK1 in complex with compound 3 (7-001)
Descriptor: 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-ol, PHOSPHATE ION, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7ZHN
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BU of 7zhn by Molmil
Crystal structure of TTBK1 in complex with AMG28
Descriptor: 1,2-ETHANEDIOL, 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, PHOSPHATE ION, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7ZHP
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BU of 7zhp by Molmil
Crystal structure of TTBK1 in complex with compound 9 (7-005)
Descriptor: 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
8BGC
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BU of 8bgc by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003)
Descriptor: 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-10-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2.
Acs Med.Chem.Lett., 14, 2023
7P30
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BU of 7p30 by Molmil
3.0 A resolution structure of a DNA-loaded MCM double hexamer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA (53-MER), ...
Authors:Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
Deposit date:2021-07-06
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
2KFU
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BU of 2kfu by Molmil
PknB-phosphorylated Rv1827
Descriptor: Rv1827 pThr 22
Authors:Smerdon, S.J, Nott, T.J, Kelly, G.
Deposit date:2009-02-27
Release date:2009-06-16
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:An intramolecular switch regulates phosphoindependent FHA domain interactions in Mycobacterium tuberculosis.
Sci.Signal., 2, 2009
7P5Z
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BU of 7p5z by Molmil
Structure of a DNA-loaded MCM double hexamer engaged with the Dbf4-dependent kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 7, ...
Authors:Greiwe, J.F, Miller, T.C.R, Martino, F, Costa, A.
Deposit date:2021-07-15
Release date:2022-02-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Nat.Struct.Mol.Biol., 29, 2022
2OPU
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BU of 2opu by Molmil
Solution NMR Structure of the First Domain of KSRP
Descriptor: KHSRP protein
Authors:Diaz-Moreno, I, Ramos, A, Garcia-Mayoral, M.F, Hollingworth, D.
Deposit date:2007-01-30
Release date:2008-02-26
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Phosphorylation-mediated unfolding of a KH domain regulates KSRP localization via 14-3-3 binding.
Nat.Struct.Mol.Biol., 16, 2009

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