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2FE5
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BU of 2fe5 by Molmil
The Crystal Structure of the Second PDZ Domain of Human DLG3
Descriptor: GLYCEROL, Presynaptic protein SAP102, SULFATE ION
Authors:Ugochukwu, E, Phillips, C, Schoch, G, Berridge, G, Salah, E, Colebrook, S, Smee, C, Savitsky, P, Bray, J, Elkins, J, Doyle, D, Bunkoczi, G, Debreczeni, J, Turnbull, A, Gorrec, F, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, Structural Genomics Consortium (SGC)
Deposit date:2005-12-15
Release date:2005-12-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Crystal Structure of the Second PDZ Domain of Human DLG3
To be Published
2FBM
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BU of 2fbm by Molmil
Acetyltransferase domain of CDY1
Descriptor: CHLORIDE ION, Y chromosome chromodomain protein 1, telomeric isoform b
Authors:Min, J.R, Antoshenko, T, Hong, W, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-12-09
Release date:2005-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of Acetyltransferases domain of Human Testis-specific chromodomain protein Y 1
To be Published
2FV7
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BU of 2fv7 by Molmil
Crystal structure of human ribokinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribokinase, ...
Authors:Rabeh, W.M, Tempel, W, Nedyalkova, L, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-01-30
Release date:2006-02-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human ribokinase
to be published
2OBV
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BU of 2obv by Molmil
Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product
Descriptor: S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-1, SODIUM ION, ...
Authors:Pilka, E.S, Shafqat, N, Kavanagh, K.L, Cooper, C, Hozjan, V, Turnbull, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-12-20
Release date:2007-01-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product.
To be Published
2OPG
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BU of 2opg by Molmil
The crystal structure of the 10th PDZ domain of MPDZ
Descriptor: Multiple PDZ domain protein, SODIUM ION
Authors:Gileadi, C, Phillips, C, Elkins, J, Papagrigoriou, E, Ugochukwu, E, Gorrec, F, Savitsky, P, Umeano, C, Berridge, G, Gileadi, O, Salah, E, Edwards, A, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-01-29
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The crystal structure of the 10th PDZ domain of MPDZ
To be Published
2PD6
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BU of 2pd6 by Molmil
Structure of human hydroxysteroid dehydrogenase type 8, HSD17B8
Descriptor: Estradiol 17-beta-dehydrogenase 8, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Turnbull, A.P, Salah, E, Gileadi, O, Savitsky, P, Guo, K, Bunkoczi, G, Pike, A.C.W, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-03-31
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human hydroxysteroid dehydrogenase type 8, HSD17B8
To be Published
3PFY
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BU of 3pfy by Molmil
The catalytic domain of human OTUD5
Descriptor: DI(HYDROXYETHYL)ETHER, OTU domain-containing protein 5, SULFATE ION, ...
Authors:Walker, J.R, Asinas, A.E, Crombet, L, Dong, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-10-29
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:The catalytic domain of human OTUD5
To be Published
3PS4
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BU of 3ps4 by Molmil
PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Microtubule-associated serine/threonine-protein kinase 1
Authors:Ugochukwu, E, Wang, J, Krojer, T, Muniz, J.R.C, Sethi, R, Pike, A.C.W, Roos, A, Salah, E, Cocking, R, Savitsky, P, Doyle, D.A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Elkins, J.M, Structural Genomics Consortium (SGC)
Deposit date:2010-11-30
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PDZ domain from Human microtubule-associated serine/threonine-protein kinase 1
TO BE PUBLISHED
2F73
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BU of 2f73 by Molmil
Crystal structure of human fatty acid binding protein 1 (FABP1)
Descriptor: Fatty acid-binding protein, liver
Authors:Kursula, P, Thorsell, A.G, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, van den Berg, S, Weigelt, J, Hallberg, B.M, Structural Genomics Consortium (SGC)
Deposit date:2005-11-30
Release date:2005-12-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human FABP1
To be Published
2GS3
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BU of 2gs3 by Molmil
Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
Descriptor: CHLORIDE ION, Phospholipid hydroperoxide glutathione peroxidase
Authors:Johansson, C, Kavanagh, K.L, Rojkova, A, Gileadi, O, von Delft, F, Arrowsmith, C, Weigelt, J, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the selenocysteine to glycine mutant of human glutathione peroxidase 4(GPX4)
To be Published
2H18
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BU of 2h18 by Molmil
Structure of human ADP-ribosylation factor-like 10B (ARL10B)
Descriptor: ADP-ribosylation factor-like protein 8A, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION
Authors:Atanassova, A, Tempel, W, Dimov, S, Yaniw, D, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2006-05-16
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structure of human ADP-ribosylation factor-like 10B (ARL10B)
To be Published
2IIK
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BU of 2iik by Molmil
Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
Descriptor: 3-ketoacyl-CoA thiolase, peroxisomal
Authors:Papagrigoriou, E, Johansson, C, Smee, C, Kavanagh, K, Pike, A.C.W, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2006-09-28
Release date:2006-10-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of human peroxisomal acetyl-CoA acyl transferase 1 (ACAA1)
TO BE PUBLISHED
2OLM
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BU of 2olm by Molmil
ArfGap domain of HIV-1 Rev binding protein
Descriptor: GLYCEROL, Nucleoporin-like protein RIP, SULFATE ION, ...
Authors:Tong, Y, Tempel, W, Shen, L, Dimov, S, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-01-19
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:ArfGap domain of HIV-1 Rev binding protein
To be Published
2PFR
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BU of 2pfr by Molmil
Human N-acetyltransferase 2
Descriptor: Arylamine N-acetyltransferase 2, COENZYME A, SULFATE ION, ...
Authors:Tempel, W, Wu, H, Dombrovski, L, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Grant, D.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-04-05
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Crystal Structure of Human N-acetyltransferase 2 in complex with CoA
to be published
2QGA
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BU of 2qga by Molmil
Plasmodium vivax adenylosuccinate lyase Pv003765 with AMP bound
Descriptor: ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, CALCIUM ION, ...
Authors:Lunin, V.V, Wernimont, A.K, Lew, J, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Hills, T, Altamentova, S, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Plasmodium vivax adenylosuccinate lyase Pv003765 with AMP bound
To be Published
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
Descriptor: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4W9X
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BU of 4w9x by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
Descriptor: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4WCI
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BU of 4wci by Molmil
Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3
Descriptor: CD2-associated protein, Ras and Rab interactor 3, SULFATE ION
Authors:Rouka, E, Simister, P.C, Janning, M, Kirsch, K.H, Krojer, T, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
Deposit date:2014-09-04
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3).
J.Biol.Chem., 290, 2015
8QEN
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BU of 8qen by Molmil
cryo-EM structure of apo Clostridioides difficile toxin B
Descriptor: Toxin B, ZINC ION
Authors:Kinsolving, J, Bous, J, Structural Genomics Consortium (SGC)
Deposit date:2023-09-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
7ZEJ
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BU of 7zej by Molmil
Crystal structure of the human MGC45594 gene product in complex with celecoxib.
Descriptor: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3
Authors:Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC)
Deposit date:2022-03-31
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions.
To Be Published
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
Descriptor: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-05-18
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
8TRE
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BU of 8tre by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-08-09
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
8G45
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BU of 8g45 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe
Descriptor: 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
8V1P
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BU of 8v1p by Molmil
CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
Descriptor: Glucose-induced degradation protein 4 homolog, N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
Authors:Dong, C, Dong, A, Calabrese, M, Wang, F, Owen, D, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-11-21
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:CRYSTAL STRUCTURE OF GID4 IN COMPLEX WITH UBF9092
To be published

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