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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
2G0G
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BU of 2g0g by Molmil
Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities
Descriptor: 3-FLUORO-N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma
Authors:Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y.
Deposit date:2006-02-13
Release date:2006-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
5HKV
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BU of 5hkv by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lincomycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23s ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M.
Deposit date:2016-01-14
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus.
Nucleic Acids Res., 45, 2017
4Z40
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BU of 4z40 by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase as isolated
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
8RSC
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BU of 8rsc by Molmil
p97 (VCP) mutant - F539A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:p97 (VCP) mutant - F539A
To Be Published
8RSB
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BU of 8rsb by Molmil
p97 (VCP) mutant - F539A ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:p97 (VCP) mutant - F539A ADP state
To Be Published
8RS9
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BU of 8rs9 by Molmil
p97 (VCP) double mutant - F266A F539A
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A.
Deposit date:2024-01-24
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:p97 (VCP) double mutant - F266A F539A
To Be Published
5SXK
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BU of 5sxk by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 18
Descriptor: 2-methylbenzene-1,3-diamine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
4Z3Z
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BU of 4z3z by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Zinc
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.666 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
3JZ9
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BU of 3jz9 by Molmil
Crystal structure of the GEF domain of DrrA/SidM from Legionella pneumophila
Descriptor: Uncharacterized protein DrrA
Authors:Schoebel, S, Oesterlin, L.K, Blankenfeldt, W, Goody, R.S, Itzen, A.
Deposit date:2009-09-23
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:RabGDI displacement by DrrA from Legionella is a consequence of its guanine nucleotide exchange activity.
Mol.Cell, 36, 2009
4ZN9
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BU of 4zn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Descriptor: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
4Z3Y
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BU of 4z3y by Molmil
Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with Benzoyl-CoA
Descriptor: Benzoyl-CoA reductase, putative, IRON/SULFUR CLUSTER, ...
Authors:Weinert, T, Kung, J.W, Weidenweber, S, Huwiler, S.G, Boll, M, Ermler, U.
Deposit date:2015-04-01
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:Structural basis of enzymatic benzene ring reduction.
Nat.Chem.Biol., 11, 2015
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
2Z94
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BU of 2z94 by Molmil
Complex structure of SARS-CoV 3C-like protease with TDT
Descriptor: 4-methylbenzene-1,2-dithiol, Replicase polyprotein 1ab, ZINC ION
Authors:Lee, C.C, Wang, A.H.
Deposit date:2007-09-17
Release date:2007-12-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors
Febs Lett., 581, 2007
5ZJV
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BU of 5zjv by Molmil
Crystal structure of the catalytic domain of MCR-1 (cMCR-1) in complex with xylose
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-L-xylopyranose
Authors:Liu, Z.X, Han, Z, Yu, X.L, Wen, G, Zeng, C.
Deposit date:2018-03-22
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the Catalytic Domain of MCR-1 (cMCR-1) in Complex with d-Xylose
Crystals, 8, 2018
3KLL
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BU of 3kll by Molmil
Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180-maltose complex
Descriptor: CALCIUM ION, GLYCEROL, Glucansucrase, ...
Authors:Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2009-11-08
Release date:2010-11-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
3KCS
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BU of 3kcs by Molmil
Crystal structure of PAmCherry1 in the dark state
Descriptor: PAmCherry1 protein
Authors:Malashkevich, V.N, Subach, F.V, Zencheck, W.D, Xiao, H, Filonov, G.S, Almo, S.C, Verkhusha, V.V.
Deposit date:2009-10-21
Release date:2009-11-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Photoactivation mechanism of PAmCherry based on crystal structures of the protein in the dark and fluorescent states.
Proc.Natl.Acad.Sci.USA, 106, 2009
8BHG
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BU of 8bhg by Molmil
GABA-A receptor a5 heteromer - a5V2 - Bretazenil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bretazenil, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R.
Deposit date:2022-10-31
Release date:2023-11-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
3JCS
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BU of 3jcs by Molmil
2.8 Angstrom cryo-EM structure of the large ribosomal subunit from the eukaryotic parasite Leishmania
Descriptor: 26S alpha ribosomal RNA, 26S delta ribosomal RNA, 26S epsilon ribosomal RNA, ...
Authors:Shalev-Benami, M, Zhang, Y, Matzov, D, Halfon, Y, Zackay, A, Rozenberg, H, Zimmerman, E, Bashan, A, Jaffe, C.L, Yonath, A, Skiniotis, G.
Deposit date:2016-01-21
Release date:2016-07-20
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:2.8- angstrom Cryo-EM Structure of the Large Ribosomal Subunit from the Eukaryotic Parasite Leishmania.
Cell Rep, 16, 2016
5FMU
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BU of 5fmu by Molmil
MmIFT54 CH-domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TRAF3-INTERACTING PROTEIN 1
Authors:Weber, K, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.593 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016
3K3U
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BU of 3k3u by Molmil
The V59W mutation blocks the distal pocket of the hemoglobin dehaloperoxidase from Amphitrite ornata
Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:de Serrano, V, Davis, M.F, Franzen, S.
Deposit date:2009-10-05
Release date:2010-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:The V59W mutation blocks the distal pocket of the hemoglobin dehaloperoxidase from Amphitrite ornata
To be Published
3JD6
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BU of 3jd6 by Molmil
Double octamer structure of retinoschisin, a cell-cell adhesion protein of the retina
Descriptor: Retinoschisin
Authors:Tolun, G, Vijayasarathy, C, Huang, R, Zeng, Y, Li, Y, Steven, A.C, Sieving, P.A, Heymann, J.B.
Deposit date:2016-04-12
Release date:2016-05-11
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Paired octamer rings of retinoschisin suggest a junctional model for cell-cell adhesion in the retina.
Proc.Natl.Acad.Sci.USA, 113, 2016
3MOU
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BU of 3mou by Molmil
Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:de Serrano, V.S, Franzen, S.
Deposit date:2010-04-23
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.711 Å)
Cite:Characterization of the Inhibitor Binding Site of the Dehaloperoxidase-Hemoglobin from Amphitrite ornata using High-Pressure Xenon Derivatization
To be Published
5FV7
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BU of 5fv7 by Molmil
Human Fen1 in complex with an N-hydroxyurea compound
Descriptor: 1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-ylmethyl]-3-hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, FLAP ENDONUCLEASE 1, MAGNESIUM ION
Authors:Exell, J.C, Thompson, M.J, Finger, L.D, Shaw, S.K, Abbott, W.M, McWhirter, C, Debreczeni, J.E, Jones, C.D, Nissink, J.W.M, Ward, T.A, Sioberg, C.W.L, Molina, D.M, Durant, S.T, Grasby, J.A.
Deposit date:2016-02-03
Release date:2016-08-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Cellular Active N-Hydroxyurea Fen1 Inhibitors Block Substrate Entry to the Active Site
Nat.Chem.Biol., 12, 2016
5FMR
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BU of 5fmr by Molmil
crIFT52 N-terminal domain
Descriptor: INTRAFLAGELLAR TRANSPORT PROTEIN COMPONENT IFT52, SULFATE ION
Authors:Mourao, A, Vetter, M, Lorentzen, E.
Deposit date:2015-11-09
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intraflagellar Transport Proteins 172, 80, 57, 54, 38, and 20 Form a Stable Tubulin-Binding Ift-B2 Complex.
Embo J., 35, 2016

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