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3FRA
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BU of 3fra by Molmil
Staphylococcus aureus F98Y DHFR complexed with iclaprim
Descriptor: 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
2PSO
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BU of 2pso by Molmil
Human StarD13 (DLC2) lipid transfer and protein localization domain
Descriptor: StAR-related lipid transfer protein 13
Authors:Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-05-07
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3FRB
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BU of 3frb by Molmil
S. aureus F98Y DHFR complexed with TMP
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
3FRF
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BU of 3frf by Molmil
S. aureus DHFR complexed with NADPH and iclaprim
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale-Glenn, E.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increased hydrophobic interactions of iclaprim with Staphylococcus aureus dihydrofolate reductase are responsible for the increase in affinity and antibacterial activity
J.Antimicrob.Chemother., 63, 2009
7RSO
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BU of 7rso by Molmil
AMC016 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC016 gp120, ...
Authors:Bader, D.L.V, Cottrell, C.A, Ward, A.B.
Deposit date:2021-08-11
Release date:2021-09-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
7RSN
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BU of 7rsn by Molmil
AMC018 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC018 gp120, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2021-08-11
Release date:2021-09-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
5AA6
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BU of 5aa6 by Molmil
Homohexameric Structure of the second Vanadate-Dependent Bromoperoxidase (AnII) from Ascophyllum nodosum
Descriptor: VANADATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 2
Authors:Radlow, M, Jeudy, A, Dabin, J, Delage, L, Leblanc, C, Hartung, J, Czjzek, M.
Deposit date:2015-07-23
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase from Ascophyllum Nodosum
To be Published
6XRT
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BU of 6xrt by Molmil
Cryo-EM structure of SHIV-elicited RHA1.V2.01 in complex with HIV-1 Env BG505 DS-SOSIP.664
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
Authors:Gorman, J, Kwong, P.D.
Deposit date:2020-07-13
Release date:2020-10-07
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
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
3FY8
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BU of 3fy8 by Molmil
Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C, Dale, G.E.
Deposit date:2009-01-22
Release date:2009-08-04
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
3FY9
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BU of 3fy9 by Molmil
Staph. aureus DHFR F98Y complexed with AR-102
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C.
Deposit date:2009-01-22
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
3FYW
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BU of 3fyw by Molmil
Staph. aureus DHFR complexed with NADPH and AR-101
Descriptor: 5-[[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oefner, C.
Deposit date:2009-01-23
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitory properties and X-ray crystallographic study of the binding of AR-101, AR-102 and iclaprim in ternary complexes with NADPH and dihydrofolate reductase from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 65, 2009
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
3LLM
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BU of 3llm by Molmil
Crystal Structure Analysis of a RNA Helicase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, CACODYLATE ION, ...
Authors:Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, 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:2010-01-29
Release date:2010-05-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein.
J.Mol.Biol., 400, 2010
5F20
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BU of 5f20 by Molmil
Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
5F1Z
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BU of 5f1z by Molmil
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one
Descriptor: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one, Non-receptor tyrosine-protein kinase TYK2
Authors:Skene, R.J.
Deposit date:2015-12-01
Release date:2016-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure-Based Design and Synthesis of 3-Amino-1,5-dihydro-4H-pyrazolopyridin-4-one Derivatives as Tyrosine Kinase 2 Inhibitors.
J.Med.Chem., 59, 2016
2WGH
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BU of 2wgh by Molmil
Human Ribonucleotide reductase R1 subunit (RRM1) in complex with dATP and Mg.
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Welin, R.M, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh-Nielsen, T, Kotzsch, A, Kotenyova, T, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Wisniewska, M, Nordlund, P.
Deposit date:2009-04-19
Release date:2009-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Allosteric Regulation of Human Ribonucleotide Reductase by Nucleotide-Induced Oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
3H9U
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BU of 3h9u by Molmil
S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei
Descriptor: ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Siponen, M.I, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kragh Nielsen, T, Kotenyova, T, Kotzsch, A, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schueler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of S-adenosyl homocysteine hydrolase (SAHH) from Trypanosoma brucei
To be Published
1DXY
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BU of 1dxy by Molmil
STRUCTURE OF D-2-HYDROXYISOCAPROATE DEHYDROGENASE
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, D-2-HYDROXYISOCAPROATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Dengler, U, Niefind, K, Kiess, M, Schomburg, D.
Deposit date:1996-08-13
Release date:1997-06-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
J.Mol.Biol., 267, 1997
2RB4
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BU of 2rb4 by Molmil
Crystal structure of the Helicase domain of human DDX25 RNA helicase
Descriptor: ATP-dependent RNA helicase DDX25, CHLORIDE ION, SULFATE ION, ...
Authors:Lehtio, L, Hogbom, M, Uppenberg, J, Arrowsmith, C.H, Berglund, H, Edwards, A.M, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC)
Deposit date:2007-09-18
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 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
3MUJ
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BU of 3muj by Molmil
Early B-cell factor 3 (EBF3) IPT/TIG and dimerization helices
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcription factor COE3
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-05-03
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 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
3MQI
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BU of 3mqi by Molmil
Human early B-cell factor 1 (EBF1) IPT/TIG domain
Descriptor: ETHYL MERCURY ION, Transcription factor COE1, trimethylamine oxide
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 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
3MTC
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BU of 3mtc by Molmil
Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate
Descriptor: (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
3N9V
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BU of 3n9v by Molmil
Crystal Structure of INPP5B
Descriptor: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-05-31
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014

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