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2XSQ
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BU of 2xsq by Molmil
Crystal structure of human Nudix motif 16 (NUDT16) in complex with IMP and magnesium
Descriptor: CHLORIDE ION, INOSINIC ACID, 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, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van den Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-29
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Basis for the Specificity of Human Nudt16 and its Regulation by Inosine Monophosphate.
Plos One, 10, 2015
2R55
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BU of 2r55 by Molmil
Human StAR-related lipid transfer protein 5
Descriptor: StAR-related lipid transfer protein 5
Authors:Lehtio, L, Busam, R.D, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-09-03
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
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
3FO5
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BU of 3fo5 by Molmil
Human START domain of Acyl-coenzyme A thioesterase 11 (ACOT11)
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van-Den-Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Shueler, H, Structural Genomics Consortium (SGC)
Deposit date:2008-12-27
Release date:2009-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
2WWP
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BU of 2wwp by Molmil
Crystal structure of the human lipocalin-type prostaglandin D synthase
Descriptor: CHLORIDE ION, PROSTAGLANDIN-H2 D-ISOMERASE, THIOCYANATE ION
Authors:Roos, A.K, Tresaugues, L, 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, Karlberg, T, Kotyenova, T, Kotzch, A, Kraulis, P, Markova, N, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-10-26
Release date:2010-01-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Dynamic Insights Into Substrate Binding and Catalysis of Human Lipocalin Prostaglandin D Synthase.
J.Lipid Res., 54, 2013
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
2VM6
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BU of 2vm6 by Molmil
Human Bcl2-A1 in complex with Bim-BH3 peptide
Descriptor: BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION
Authors:Herman, M.D, 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, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2008-01-23
Release date:2008-02-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
2XS6
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BU of 2xs6 by Molmil
CRYSTAL STRUCTURE OF THE RHOGAP DOMAIN OF HUMAN PIK3R2
Descriptor: CHLORIDE ION, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT BETA
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, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
Deposit date:2010-09-24
Release date:2010-11-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Structure and Catalytic Mechanism of Human Sphingomyelin Phosphodiesterase Like 3A - an Acid Sphingomyelinase Homolog with a Novel Nucleotide Hydrolase Activity.
FEBS J., 283, 2016
2VKQ
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BU of 2vkq by Molmil
Crystal structure of human cytosolic 5'-nucleotidase III (cN-III, NT5C3) in complex with beryllium trifluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, CYTOSOLIC 5'-NUCLEOTIDASE III, MAGNESIUM ION
Authors:Wallden, K, Moche, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-12-21
Release date:2008-01-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Human Cytosolic 5'- Nucleotidase III
To be Published
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
2VXO
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BU of 2vxo by Molmil
Human GMP synthetase in complex with XMP
Descriptor: GMP SYNTHASE [GLUTAMINE-HYDROLYZING], SULFATE ION, XANTHOSINE-5'-MONOPHOSPHATE
Authors:Welin, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Wikstrom, M, Nordlund, P.
Deposit date:2008-07-08
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Specificity and Oligomerization of Human Gmp Synthetase
J.Mol.Biol., 425, 2013
3GXQ
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BU of 3gxq by Molmil
Structure of ArtA and DNA complex
Descriptor: DNA (5'-D(*AP*CP*AP*TP*GP*AP*CP*AP*TP*G)-3'), DNA (5'-D(*AP*CP*AP*TP*GP*TP*CP*AP*TP*GP*T)-3'), Putative regulator of transfer genes ArtA
Authors:Ni, L, Firth, N, Schumacher, M.A.
Deposit date:2009-04-02
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Staphylococcus aureus pSK41 plasmid-encoded ArtA protein is a master regulator of plasmid transmission genes and contains a RHH motif used in alternate DNA-binding modes.
Nucleic Acids Res., 37, 2009
1O7D
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BU of 1o7d by Molmil
The structure of the bovine lysosomal a-mannosidase suggests a novel mechanism for low pH activation
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Heikinheimo, P, Helland, R, Leiros, H.S, Leiros, I, Karlsen, S, Evjen, G, Ravelli, R, Schoehn, G, Ruigrok, R, Tollersrud, O.-K, Mcsweeney, S, Hough, E.
Deposit date:2002-10-30
Release date:2003-03-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structure of Bovine Lysosomal Alpha-Mannosidase Suggests a Novel Mechanism for Low-Ph Activation
J.Mol.Biol., 327, 2003
5E4M
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BU of 5e4m by Molmil
Hydroxynitrile lyase from the fern Davallia tyermanii in complex with p-hydroxybenzaldehyde
Descriptor: Hydroxynitrile lyase, P-HYDROXYBENZALDEHYDE
Authors:Pavkov-Keller, T, Diepold, M, Gruber, K.
Deposit date:2015-10-06
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Enzyme discovery beyond homology: a unique hydroxynitrile lyase in the Bet v1 superfamily.
Sci Rep, 7, 2017
4WL0
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BU of 4wl0 by Molmil
Ligand-free structure of human platelet phosphofructokinase in an R-state, crystal form I
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION
Authors:Kloos, M, Strater, N.
Deposit date:2014-10-05
Release date:2015-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
3NR8
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BU of 3nr8 by Molmil
Crystal structure of human SHIP2
Descriptor: CHLORIDE ION, Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 2
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, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-06-30
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
3P0L
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BU of 3p0l by Molmil
Human steroidogenic acute regulatory protein
Descriptor: Steroidogenic acute regulatory protein, mitochondrial
Authors:Lehtio, L, Siponen, 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, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
6ZN3
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BU of 6zn3 by Molmil
Plasmodium facliparum glideosome trimeric sub-complex
Descriptor: Myosin A tail domain interacting protein, Myosin essential light chain ELC, Myosin-A
Authors:Pazicky, S, Loew, C.
Deposit date:2020-07-06
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural role of essential light chains in the apicomplexan glideosome.
Commun Biol, 3, 2020
7OIS
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BU of 7ois by Molmil
mPI3Kd in complex with compound 7
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-12
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
6OAK
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BU of 6oak by Molmil
Structure of human PARG complexed with JA2131
Descriptor: (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase
Authors:Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A.
Deposit date:2019-03-16
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
7P6T
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BU of 7p6t by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6S
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BU of 7p6s by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
Authors:Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
Deposit date:2021-07-17
Release date:2022-03-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
4U1R
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BU of 4u1r by Molmil
ATP-bound structure of human platelet phosphofructokinase in an R-state, crystal form II
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ...
Authors:Kloos, M, Straeter, N.
Deposit date:2014-07-16
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
8P0F
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BU of 8p0f by Molmil
Crystal structure of the VCB complex with compound 1.
Descriptor: (3~{R},5~{R})-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-5-oxidanyl-2-oxidanylidene-1-pyridin-2-yl-piperidine-3-carboxamide, CHLORIDE ION, Elongin-B, ...
Authors:Bader, G, Boettcher, J, Wolkerstorfer, B.
Deposit date:2023-05-10
Release date:2023-05-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders
Chemrxiv, 2023

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