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9B9W
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BU of 9b9w by Molmil
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792
Descriptor: (4P)-N-[(1R)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(25E)-1-{(1P)-6-fluoro-3'-[4-fluoro-2-(trifluoromethyl)benzamido]-4'-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-1,24-dioxo-5,8,11,14,17,20-hexaoxa-2,23-diazahexacos-25-en-26-yl]-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Mamai, A, Hoffer, L, Al-awar, R, Vedadi, M.
Deposit date:2024-04-03
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
4XAX
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BU of 4xax by Molmil
Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA polymerase beta1 domain
Descriptor: 1,2-ETHANEDIOL, CarD, DNA-directed RNA polymerase subunit beta domain 1
Authors:Chen, J, Bae, B, Campbell, E.A, Darst, S.A.
Deposit date:2014-12-15
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
9B9H
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BU of 9b9h by Molmil
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40333
Descriptor: DDB1- and CUL4-associated factor 1, N-{(1P)-5'-({(17E)-18-[(3P)-4-{[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]carbamoyl}-3-(4-chloro-2-fluorophenyl)-1H-pyrrol-2-yl]-16-oxo-3,6,9,12-tetraoxa-15-azaoctadec-17-en-1-yl}carbamoyl)-2'-fluoro-4-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl][1,1'-biphenyl]-3-yl}-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, WD repeat-containing protein 5
Authors:Mabanglo, M.F, Wilson, B.J, Alvarez, H.G, Hoffer, L, Al-awar, R, Vedadi, M.
Deposit date:2024-04-02
Release date:2024-11-06
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity.
Nat Commun, 15, 2024
4XN2
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BU of 4xn2 by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine
Descriptor: Aminopeptidase N, GLYCEROL, LEUCINE, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine
To Be Published
9BHL
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BU of 9bhl by Molmil
Human proton sensing receptor GPR65 in complex with miniGs
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, Nanobody 35, ...
Authors:Howard, M.K, Hoppe, N, Huang, X.P, Macdonald, C.B, Mehrotra, E, Rockefeller Grimes, P, Zahm, A.M, Trinidad, D.D, English, J, Coyote-Maestas, W, Manglik, A.
Deposit date:2024-04-21
Release date:2025-01-22
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular basis of proton sensing by G protein-coupled receptors.
Cell, 188, 2025
1GNE
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BU of 1gne by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE
Authors:Lim, K, Ho, J.X, Keeling, K, Gilliland, G.L, Ji, X, Ruker, F, Carter, D.C.
Deposit date:1994-06-16
Release date:1994-11-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV.
Protein Sci., 3, 1994
9BHM
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BU of 9bhm by Molmil
Human proton sensing receptor GPR68 in complex with miniGs
Descriptor: CHOLESTEROL HEMISUCCINATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Howard, M.K, Hoppe, N, Huang, X.P, Macdonald, C.B, Mehrotra, E, Rockefeller Grimes, P, Zahm, A.M, Trinidad, D.D, English, J, Coyote-Maestas, W, Manglik, A.
Deposit date:2024-04-21
Release date:2025-01-22
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular basis of proton sensing by G protein-coupled receptors.
Cell, 188, 2025
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3.
Proc.Natl.Acad.Sci.USA, 121, 2024
6Y41
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BU of 6y41 by Molmil
Fibrinogen-like globe domain of human ANGPTL2
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ...
Authors:Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fibrinogen-like globe domain of human ANGPTL2
To Be Published
6YBK
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BU of 6ybk by Molmil
Structure of MBP-Mcl-1 in complex with compound 4d
Descriptor: (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid, CHLORIDE ION, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Murray, J.B.
Deposit date:2020-03-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of S64315, a Potent and Selective Mcl-1 Inhibitor.
J.Med.Chem., 63, 2020
7VFX
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BU of 7vfx by Molmil
The structure of Formyl Peptide Receptor 1 in complex with Gi and peptide agonist fMIFL
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, X.K, Chen, G, Liao, Q.W, Du, Y, Hu, H.L, Ye, D.Q.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for recognition of N-formyl peptides as pathogen-associated molecular patterns.
Nat Commun, 13, 2022
4XN4
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BU of 4xn4 by Molmil
Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine
Descriptor: Aminopeptidase N, GLYCEROL, MALONATE ION, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Methionine
To Be Published
8XU8
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BU of 8xu8 by Molmil
State 2c(S2c) of yeast 80S ribosome bound to compact eEF2 and 2 tRNAs during peptidyl transferation
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-01-12
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
6Y79
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BU of 6y79 by Molmil
Cryo-EM structure of a respiratory complex I F89A mutant
Descriptor: (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Parey, K.
Deposit date:2020-02-28
Release date:2020-10-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Essential role of accessory subunit LYRM6 in the mechanism of mitochondrial complex I.
Nat Commun, 11, 2020
7UYF
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BU of 7uyf by Molmil
Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound
Descriptor: 4-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Gunn, R.J, Lawson, J.D, Smith, C.R.
Deposit date:2022-05-06
Release date:2022-10-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
4XPG
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BU of 4xpg by Molmil
X-ray structure of Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) bound to beta-CFT or Win35428
Descriptor: CHLORIDE ION, CHOLESTEROL, Dopamine transporter, ...
Authors:Penmatsa, A, Wang, K.H, Gouaux, E.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
4XQC
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BU of 4xqc by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD and 1,3-diaminopropane.
Descriptor: 1,3-DIAMINOPROPANE, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, ...
Authors:Krossa, S.
Deposit date:2015-01-19
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
7VIG
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BU of 7vig by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
Descriptor: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
4XN7
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BU of 4xn7 by Molmil
Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
Descriptor: Aminopeptidase N, DIAMINOPROPANOIC ACID, GLYCEROL, ...
Authors:Addlagatta, A, Gumpena, R.
Deposit date:2015-01-15
Release date:2016-03-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of E. coli Aminopeptidase N in complex with L-2,3-Diaminopropionic acid
To Be Published
9B65
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BU of 9b65 by Molmil
Biased agonist bound CB1-Gi structure
Descriptor: Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Rangari, V.A, O'Brien, E.S, Kobilka, B.K, Krishna Kumar, K, Majumdar, S.
Deposit date:2024-03-23
Release date:2025-03-05
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A cryptic pocket in CB1 drives peripheral and functional selectivity.
Nature, 640, 2025
4XP1
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BU of 4xp1 by Molmil
X-ray structure of Drosophila dopamine transporter bound to neurotransmitter dopamine
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gouaux, E, Penmatsa, A, Wang, K.
Deposit date:2015-01-16
Release date:2015-05-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Neurotransmitter and psychostimulant recognition by the dopamine transporter.
Nature, 521, 2015
7VIE
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BU of 7vie by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIF
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BU of 7vif by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with (S)-FTY720-P
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIH
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BU of 7vih by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
Descriptor: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8PQL
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BU of 8pql by Molmil
K48-linked ubiquitin chain formation with a cullin-RING E3 ligase and Cdc34: NEDD8-CUL2-RBX1-ELOB/C-FEM1C with trapped UBE2R2-donor UB-acceptor UB-SIL1 peptide
Descriptor: 5-azanylpentan-2-one, Cullin-2, E3 ubiquitin-protein ligase RBX1, ...
Authors:Liwocha, J, Prabu, J.R, Kleiger, G, Schulman, B.A.
Deposit date:2023-07-11
Release date:2024-02-14
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Mechanism of millisecond Lys48-linked poly-ubiquitin chain formation by cullin-RING ligases.
Nat.Struct.Mol.Biol., 31, 2024

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