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7OTF
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BU of 7otf by Molmil
PARP15 catalytic domain in complex with OUL213
Descriptor: 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OSX
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BU of 7osx by Molmil
PARP15 catalytic domain in complex with OUL205
Descriptor: 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-09
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OSP
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BU of 7osp by Molmil
PARP15 catalytic domain in complex with OUL113
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-[(3-bromophenyl)methoxy]benzamide, DIMETHYL SULFOXIDE, ...
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-09
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OUW
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BU of 7ouw by Molmil
PARP15 catalytic domain in complex with OUL220
Descriptor: 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-14
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OQQ
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BU of 7oqq by Molmil
PARP15 catalytic domain in complex with TIQ-A
Descriptor: 4H-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-04
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OUX
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BU of 7oux by Molmil
PARP15 catalytic domain in complex with OUL228
Descriptor: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-14
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7OTH
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BU of 7oth by Molmil
PARP15 catalytic domain in complex with OUL219
Descriptor: 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Maksimainen, M.M, Lehtio, L.
Deposit date:2021-06-10
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analogs of TIQ-A as inhibitors of human mono-ADP-ribosylating PARPs.
Bioorg.Med.Chem., 52, 2021
7POX
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BU of 7pox by Molmil
TNKS2 in complex with OM-1700, treated with H2O2
Descriptor: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Poly [ADP-ribose] polymerase tankyrase-2
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-09-10
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The zinc-binding motif in tankyrases is required for the structural integrity of the catalytic ADP-ribosyltransferase domain.
Open Biology, 12, 2022
2G9N
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BU of 2g9n by Molmil
Structure of the DEAD domain of Human eukaryotic initiation factor 4A, eIF4A
Descriptor: Eukaryotic initiation factor 4A-I
Authors:Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2006-03-07
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3LYR
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BU of 3lyr by Molmil
Human Early B-cell Factor 1 (EBF1) DNA-binding domain
Descriptor: AMMONIUM ION, SULFATE ION, Transcription factor COE1, ...
Authors:Siponen, M.I, Wisniewska, M, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kraulis, P, Kotenyova, T, Markova, N, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-02-28
Release date:2010-03-16
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
3LY5
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BU of 3ly5 by Molmil
DDX18 dead-domain
Descriptor: ATP-dependent RNA helicase DDX18, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC)
Deposit date:2010-02-26
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3BOR
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BU of 3bor by Molmil
Crystal structure of the DEADc domain of human translation initiation factor 4A-2
Descriptor: Human initiation factor 4A-II
Authors:Dimov, S, Hong, B, Tempel, W, MacKenzie, F, Karlberg, T, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2007-12-17
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3IUY
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BU of 3iuy by Molmil
Crystal structure of DDX53 DEAD-box domain
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Probable ATP-dependent RNA helicase DDX53
Authors:Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Comparative Structural Analysis of Human DEAD-Box RNA Helicases.
Plos One, 5, 2010
3IUC
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BU of 3iuc by Molmil
Crystal structure of the human 70kDa heat shock protein 5 (BiP/GRP78) ATPase domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70kDa protein 5 (Glucose-regulated protein, ...
Authors:Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-31
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
Authors:Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3I33
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BU of 3i33 by Molmil
Crystal structure of the human 70kDa heat shock protein 2 (Hsp70-2) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock-related 70 kDa protein 2, ...
Authors:Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Moche, M, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
3COG
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BU of 3cog by Molmil
Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine
Descriptor: (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ...
Authors:Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC)
Deposit date:2008-03-28
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S.
J.Biol.Chem., 284, 2009
2QZ4
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BU of 2qz4 by Molmil
Human paraplegin, AAA domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Paraplegin
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, J, Sagemark, C, Sundstrom, M, Thorsell, A.G, Tresauges, L, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-08-16
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of the ATPase Domain of the Human AAA+ Protein Paraplegin/SPG7.
Plos One, 4, 2009
2VM5
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BU of 2vm5 by Molmil
HUMAN BIR2 DOMAIN OF BACULOVIRAL INHIBITOR OF APOPTOSIS REPEAT- CONTAINING 1 (BIRC1)
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 1, GLYCEROL, ZINC ION
Authors:Herman, M.D, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-01-23
Release date:2008-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
3BIN
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BU of 3bin by Molmil
Structure of the DAL-1 and TSLC1 (372-383) complex
Descriptor: Band 4.1-like protein 3, Cell adhesion molecule 1
Authors:Busam, R.D, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Berglund, H, Persson, C, Hallberg, B.M.
Deposit date:2007-11-30
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of tumor suppressor in lung cancer 1 (TSLC1) binding to differentially expressed in adenocarcinoma of the lung (DAL-1/4.1B)
J.Biol.Chem., 286, 2011
3BLJ
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BU of 3blj by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment
Descriptor: CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) polymerase 15, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2007-12-11
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
3CZD
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BU of 3czd by Molmil
Crystal structure of human glutaminase in complex with L-glutamate
Descriptor: GLUTAMIC ACID, GLYCEROL, Glutaminase kidney isoform, ...
Authors:Karlberg, T, Welin, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wikstrom, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-04-29
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
2UVL
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BU of 2uvl by Molmil
Human BIR3 domain of Baculoviral Inhibitor of Apoptosis Repeat- Containing 3 (BIRC3)
Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 3, GLYCEROL, ZINC ION
Authors:Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Upsten, M, Van Den Berg, S, Weigelt, J, Nordlund, P.
Deposit date:2007-03-12
Release date:2007-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structures of Bir Domains from Human Naip and Ciap2.
Acta Crystallogr.,Sect.F, 65, 2009
4MOB
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BU of 4mob by Molmil
Acyl-Coenzyme A thioesterase 12 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Acyl-coenzyme A thioesterase 12, COENZYME A
Authors:Swarbrick, C.M.D, Forwood, J.K.
Deposit date:2013-09-12
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Structural basis for regulation of the human acetyl-CoA thioesterase 12 and interactions with the steroidogenic acute regulatory protein-related lipid transfer (START) domain.
J.Biol.Chem., 289, 2014
4MOC
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BU of 4moc by Molmil
Human Acyl-coenzyme A Thioesterase 12
Descriptor: Acyl-coenzyme A thioesterase 12, COENZYME A
Authors:Swarbrick, C.M.D, Forwood, J.K.
Deposit date:2013-09-12
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for regulation of the human acetyl-CoA thioesterase 12 and interactions with the steroidogenic acute regulatory protein-related lipid transfer (START) domain.
J.Biol.Chem., 289, 2014

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