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8CB9
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PBP AccA from A. tumefaciens Bo542 in complex with D-Glucose-2-phosphate
Descriptor: 2-O-phosphono-alpha-D-glucopyranose, 2-O-phosphono-beta-D-glucopyranose, Agrocinopine utilization periplasmic binding protein AccA
Authors:Morera, S, Vigouroux, A.
Deposit date:2023-01-25
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
8UWL
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BU of 8uwl by Molmil
5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2023-11-06
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
8XJK
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BU of 8xjk by Molmil
Cloprosetnol bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
6MWF
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BU of 6mwf by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0459
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-29
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand HGN-0456.
To Be Published
8V6U
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5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking
Descriptor: 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ...
Authors:Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L.
Deposit date:2023-12-03
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 384, 2024
8XJO
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BU of 8xjo by Molmil
U46619 bound Thromboxane A2 receptor-Gq Protein Complex
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJN
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BU of 8xjn by Molmil
Cloprosetnol bound Thromboxane A2 receptor-Gq Protein Complex
Descriptor: (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8XJL
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BU of 8xjl by Molmil
PGF2-alpha bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid, Antibody fragment scFv16, Engineered miniGq, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
2VKO
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BU of 2vko by Molmil
Structure of the soluble domain of the membrane protein TM1634 from Thermotoga maritima
Descriptor: HEXAETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, TM1634
Authors:McCleverty, C.J, Columbus, L, Kreusch, A, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-20
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure and Ligand Binding of the Soluble Domain of a Thermotoga Maritima Membrane Protein of Unknown Function Tm1634.
Protein Sci., 17, 2008
8XJM
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BU of 8xjm by Molmil
Latanoprost acid bound Prostaglandin F2-alpha receptor-Gq Protein Complex
Descriptor: Antibody fragment scFv16, Engineered miniGq, Fusion tag,Prostaglandin F2-alpha receptor,LgBiT, ...
Authors:Zhang, X, Li, X, Liu, G, Gong, W.
Deposit date:2023-12-21
Release date:2024-02-28
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis for ligand recognition and activation of the prostanoid receptors.
Cell Rep, 43, 2024
8VAE
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BU of 8vae by Molmil
Cryogenic electron microscopy structure of human serum albumin in complex with salicylic acid
Descriptor: 2-HYDROXYBENZOIC ACID, Serum albumin
Authors:Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G.
Deposit date:2023-12-11
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
8VAF
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BU of 8vaf by Molmil
Cryogenic electron microscopy structure of apo human serum albumin
Descriptor: Serum albumin
Authors:Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G.
Deposit date:2023-12-11
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The CryoEM structure of human serum albumin in complex with ligands.
J.Struct.Biol., 216, 2024
2VKJ
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BU of 2vkj by Molmil
Structure of the soluble domain of the membrane protein TM1634 from Thermotoga maritima
Descriptor: SULFATE ION, TM1634
Authors:McCleverty, C.J, Columbus, L, Kreusch, A, Lesley, S.A, Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-19
Release date:2008-04-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Ligand Binding of the Soluble Domain of a Thermotoga Maritima Membrane Protein of Unknown Function Tm1634.
Protein Sci., 17, 2008
9EQK
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BU of 9eqk by Molmil
WWP1 WW2-2,3-linker-WW3-WW4-HECT (WWP1-2L34H) with ordered WW2 domain
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP1
Authors:Dudey, A.P, Hemmings, A.M.
Deposit date:2024-03-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expanding the Inhibitor Space of the WWP1 and WWP2 HECT E3 Ligases
To Be Published
9JDW
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BU of 9jdw by Molmil
CRYSTAL STRUCTURE OF HUMAN L-ARGININE:GLYCINE AMIDINOTRANSFERASE IN COMPLEX WITH ALPHA-AMINO BUTYRIC ACID
Descriptor: ALPHA-AMINOBUTYRIC ACID, PROTEIN (L-ARGININE:GLYCINE AMIDINOTRANSFERASE)
Authors:Fritsche, E, Humm, A, Huber, R.
Deposit date:1998-10-12
Release date:1999-02-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-induced structural changes of human L-Arginine:Glycine amidinotransferase. A mutational and crystallographic study.
J.Biol.Chem., 274, 1999
8PMQ
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BU of 8pmq by Molmil
Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin
Descriptor: E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ...
Authors:Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
Deposit date:2023-06-29
Release date:2024-01-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
7PQT
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BU of 7pqt by Molmil
Apo human Kv3.1 cryo-EM structure
Descriptor: POTASSIUM ION, Potassium voltage-gated channel subfamily C member 1
Authors:Botte, M, Huber, S, Bucher, D, Klint, J.K, Rodriguez, D, Tagmose, L, Chami, M, Cheng, R, Hennig, M, Abdul Rhaman, W.
Deposit date:2021-09-20
Release date:2022-08-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Apo and ligand-bound high resolution Cryo-EM structures of the human Kv3.1 channel reveal a novel binding site for positive modulators.
Pnas Nexus, 1, 2022
6CI0
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BU of 6ci0 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with E101A (II) mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Hiser, C, Ferguson-Miller, S.
Deposit date:2018-02-23
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The K-path entrance in cytochrome c oxidase is defined by mutation of E101 and controlled by an adjacent ligand binding domain.
Biochim. Biophys. Acta, 1859, 2018
2P71
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BU of 2p71 by Molmil
Bombyx mori pheromone binding protein bound to iodohexadecane
Descriptor: 1-IODOHEXADECANE, pheromone-binding protein
Authors:Lautenschlager, C.L, Clardy, J.
Deposit date:2007-03-19
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Bombyx mori pheromone-binding protein binding nonpheromone ligands: implications for pheromone recognition.
Structure, 15, 2007
1K2F
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BU of 1k2f by Molmil
siah, Seven In Absentia Homolog
Descriptor: BETA-MERCAPTOETHANOL, ZINC ION, siah-1A protein
Authors:Polekhina, G, House, C.M, Traficante, N, Mackay, J.P, Relaix, F, Sassoon, D.A, Parker, M.W, Bowtell, D.D.L.
Deposit date:2001-09-26
Release date:2001-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Siah ubiquitin ligase is structurally related to TRAF and modulates TNF-alpha signaling.
Nat.Struct.Biol., 9, 2002
8GXB
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BU of 8gxb by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NAD+
Descriptor: MAGNESIUM ION, NAD+ II riboswitch, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
8GXC
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BU of 8gxc by Molmil
Crystal structure of NAD+ -II riboswitch in complex with NMN
Descriptor: 61-mer RNA, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Xu, X.C, Ren, A.M.
Deposit date:2022-09-19
Release date:2023-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based investigations of the NAD+-II riboswitch.
Nucleic Acids Res., 51, 2023
1QI0
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BU of 1qi0 by Molmil
ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN THE TETRAGONAL CRYSTAL FORM IN COMPLEX WITH CELLOBIOSE
Descriptor: CALCIUM ION, ENDOGLUCANASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Varrot, A, Schulein, M, Davies, G.J.
Deposit date:1999-06-02
Release date:2000-06-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into ligand-induced conformational change in Cel5A from Bacillus agaradhaerens revealed by a catalytically active crystal form.
J.Mol.Biol., 297, 2000
6NMO
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BU of 6nmo by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, DIMETHYL SULFOXIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-01-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF) Burkholderia pseudomallei in complex with ligand SR-4.
To be Published
2J8T
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BU of 2j8t by Molmil
Human aldose reductase in complex with NADP and citrate at 0.82 angstrom
Descriptor: ALDO-KETO REDUCTASE FAMILY 1, MEMBER B1, CITRATE ANION, ...
Authors:Biadene, M, Hazemann, I, Cousido, A, Ginell, S, Sheldrick, G.M, Podjarny, A, Schneider, T.R.
Deposit date:2006-10-27
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (0.82 Å)
Cite:The Atomic Resolution Structure of Human Aldose Reductase Reveals that Rearrangement of a Bound Ligand Allows the Opening of the Safety-Belt Loop.
Acta Crystallogr.,Sect.D, 63, 2007

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