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7O2L
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BU of 7o2l by Molmil
Yeast 20S proteasome in complex with the covalently bound inhibitor b-lactone (2R,3S)-3-isopropyl-4-oxo-2-oxetane-carboxylate (IOC)
Descriptor: (2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid, 20S proteasome, BJ4_G0020160.mRNA.1.CDS.1, ...
Authors:Shi, Y.M, Hirschmann, M, Shi, Y.N, Shabbir, A, Abebew, D, Tobias, N.J, Gruen, P, Crames, J.J, Poeschel, L, Kuttenlochner, W, Richter, C, Herrmann, J, Mueller, R, Thanwisai, A, Pidot, S.J, Stinear, T.P, Groll, M, Kim, Y, Bode, H.
Deposit date:2021-03-30
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Global analysis of biosynthetic gene clusters reveals conserved and unique natural products in entomopathogenic nematode-symbiotic bacteria.
Nat.Chem., 14, 2022
3B7K
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BU of 3b7k by Molmil
Human Acyl-coenzyme A thioesterase 12
Descriptor: Acyl-coenzyme A thioesterase 12, COENZYME A
Authors:Lehtio, L, Busam, R.D, Arrowsmith, C.H, 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, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human Acyl-coenzyme A thioesterase 12.
To be Published
1CY2
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BU of 1cy2 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH TPTPTP3'
Descriptor: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
1CY8
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BU of 1cy8 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'-THYMIDINE MONOPHOSPHATE AND 3'-THYMIDINE MONOPHOSPHATE
Descriptor: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3'-PHOSPHATE, ...
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
8BV0
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BU of 8bv0 by Molmil
Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment)
Authors:Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L.
Deposit date:2022-12-01
Release date:2022-12-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
1CY0
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BU of 1cy0 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 3'-5'-ADENOSINE DIPHOSPHATE
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, DNA TOPOISOMERASE I
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
3CC6
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BU of 3cc6 by Molmil
Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B)
Descriptor: GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta
Authors:Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, 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, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2008-02-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain.
To be Published
3C5N
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BU of 3c5n by Molmil
Structure of human TULP1 in complex with IP3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1
Authors:Busam, R.D, Lehtio, L, Arrowsmith, C.H, 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, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
Deposit date:2008-01-31
Release date:2008-04-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human TULP1 in complex with IP3
To be published
1CY7
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BU of 1cy7 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 5'-THYMIDINE MONOPHOSPHATE
Descriptor: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-5'-PHOSPHATE
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
1CY6
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BU of 1cy6 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 3' THYMIDINE MONOPHOSPHATE
Descriptor: DNA TOPOISOMERASE I, PHOSPHATE ION, THYMIDINE-3'-PHOSPHATE
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
5HWK
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BU of 5hwk by Molmil
Crystal structure of gama glutamyl cyclotransferease specific to glutathione from yeast
Descriptor: BENZOIC ACID, Glutathione-specific gamma-glutamylcyclotransferase, PHOSPHATE ION
Authors:Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K.
Deposit date:2016-01-29
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.344 Å)
Cite:ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
7Z52
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BU of 7z52 by Molmil
Human NEXT dimer - focused reconstruction of the single MTR4
Descriptor: Exosome RNA helicase MTR4, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RNA (5'-R(P*UP*UP*UP*UP*U)-3'), ...
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-07
Release date:2022-06-22
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
7Z4Z
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BU of 7z4z by Molmil
Human NEXT dimer - focused reconstruction of the dimerization module
Descriptor: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-06
Release date:2022-06-22
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
7Z4Y
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BU of 7z4y by Molmil
Human NEXT dimer - overall reconstruction of the core complex
Descriptor: Exosome RNA helicase MTR4, Zinc finger CCHC domain-containing protein 8
Authors:Gerlach, P, Lingaraju, M, Salerno-Kochan, A, Bonneau, F, Basquin, J, Conti, E.
Deposit date:2022-03-06
Release date:2022-06-22
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure and regulation of the nuclear exosome targeting complex guides RNA substrates to the exosome.
Mol.Cell, 82, 2022
8GIJ
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BU of 8gij by Molmil
TEM-1 Beta Lactamase Variant 80.b
Descriptor: TEM-1 Beta Lactmase Variant 80.b
Authors:Fram, B.F, Gauthier, N.P, Khan, A, Sander, C.
Deposit date:2023-03-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Simultaneous enhancement of multiple functional properties using evolution-informed protein design
To be published
5KZQ
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BU of 5kzq by Molmil
Metabotropic Glutamate Receptor in complex with antagonist (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Descriptor: (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2
Authors:Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
Deposit date:2016-07-25
Release date:2016-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
5HWI
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BU of 5hwi by Molmil
Crystal structure of selenomethionine labelled gama glutamyl cyclotransferease specific to glutathione from yeast
Descriptor: GLYCEROL, Glutathione-specific gamma-glutamylcyclotransferase, SUCCINIC ACID
Authors:Kaur, A, Gautam, R, Srivastava, R, Chandel, A, Kumar, A, Karthikeyan, S, Bachhawat, A.K.
Deposit date:2016-01-29
Release date:2016-12-14
Last modified:2017-01-25
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:ChaC2, an Enzyme for Slow Turnover of Cytosolic Glutathione
J. Biol. Chem., 292, 2017
1NKW
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BU of 1nkw by Molmil
Crystal Structure Of The Large Ribosomal Subunit From Deinococcus Radiodurans
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L11, 50S ribosomal protein L13, ...
Authors:Harms, J.M, Schluenzen, F, Zarivach, R, Bashan, A, Gat, S, Agmon, I, Bartels, H, Franceschi, F, Yonath, A.
Deposit date:2003-01-05
Release date:2003-02-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:High resolution structure of the large ribosomal subunit from a mesophilic eubacterium
Cell(Cambridge,Mass.), 107, 2001
7N99
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BU of 7n99 by Molmil
SDE2 SAP domain apo structure
Descriptor: Isoform 2 of Replication stress response regulator SDE2
Authors:Paung, Y, Weinheimer, A.S, Rageul, J, Khan, A, Ho, B, Tong, M, Alphonse, S, Seeliger, M.A, Kim, H.
Deposit date:2021-06-17
Release date:2022-10-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Extended DNA-binding interfaces beyond the canonical SAP domain contribute to the function of replication stress regulator SDE2 at DNA replication forks.
J.Biol.Chem., 298, 2022
5FOJ
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BU of 5foj by Molmil
Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody
Descriptor: Nanobody, RNA2 polyprotein
Authors:Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P.
Deposit date:2015-11-22
Release date:2016-01-20
Last modified:2021-08-11
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
1OND
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BU of 1ond by Molmil
THE CRYSTAL STRUCTURE OF THE 50S LARGE RIBOSOMAL SUBUNIT FROM DEINOCOCCUS RADIODURANS COMPLEXED WITH TROLEANDOMYCIN MACROLIDE ANTIBIOTIC
Descriptor: 23S RIBOSOMAL RNA, 50S ribosomal protein L22, 50S ribosomal protein L32, ...
Authors:Berisio, R, Schluenzen, F, Harms, J, Bashan, A, Auerbach, T, Baram, D, Yonath, A.
Deposit date:2003-02-27
Release date:2003-04-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insight into the role of the ribosomal tunnel in cellular regulation
Nat.Struct.Biol., 10, 2003
3CE0
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BU of 3ce0 by Molmil
Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor PJ34
Descriptor: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Poly [ADP-ribose] polymerase 3
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Herman, M.D, Johansson, A, 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:2008-02-27
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009
8B6X
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NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in DPC micelles
Descriptor: Envelope glycoprotein gp160
Authors:Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
Deposit date:2022-09-27
Release date:2022-11-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022
8B6Y
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NMR assignment and structure of a peptide derived from the membrane proximal external region of HIV-1 gp41 in the presence of hexafluoroisopropanol
Descriptor: Envelope glycoprotein gp160
Authors:Jimenez, M.A, Partida-Hanon, A, Nieva, J.L.
Deposit date:2022-09-27
Release date:2022-12-07
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope.
Commun Biol, 5, 2022
3C49
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Human poly(ADP-ribose) polymerase 3, catalytic fragment in complex with an inhibitor KU0058948
Descriptor: 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one, Poly(ADP-ribose) polymerase 3
Authors:Lehtio, L, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, 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:2008-01-29
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for inhibitor specificity in human poly(ADP-ribose) polymerase-3.
J.Med.Chem., 52, 2009

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