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5MEV
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BU of 5mev by Molmil
MCL1 FAB COMPLEX IN COMPLEX WITH COMPOUND 21
Descriptor: (5~{R},13~{S},17~{S})-5-[(3,4-dichlorophenyl)methyl]-8-methyl-13-[(4-methylsulfonylphenyl)methyl]-1,4,8,12,16-pentazatricyclo[15.8.1.0^{20,25}]hexacosa-20,22,24-triene-3,7,15,26-tetrone, Fab Heavy Chain, Fab Light Chain, ...
Authors:Hargreaves, D.
Deposit date:2016-11-16
Release date:2017-01-18
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors
Acs Med.Chem.Lett., 8, 2017
8GCM
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BU of 8gcm by Molmil
Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein
Descriptor: (5S)-5-[(3R)-4,4-difluoro-3-hydroxy-4-phenylbutyl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-one, 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:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
6Q0C
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BU of 6q0c by Molmil
MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired with undamaged dG
Descriptor: 1,2-ETHANEDIOL, A/G-specific adenine glycosylase, CALCIUM ION, ...
Authors:O'Shea Murray, V.L, Russelburg, L.P, Horvath, M.P, David, S.S.
Deposit date:2019-08-01
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Acs Chem.Biol., 15, 2020
7TTZ
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BU of 7ttz by Molmil
Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7
Descriptor: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S.
Deposit date:2022-02-02
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
3CTM
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BU of 3ctm by Molmil
Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity
Descriptor: Carbonyl Reductase
Authors:Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z.
Deposit date:2008-04-14
Release date:2008-05-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
8GDB
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BU of 8gdb by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jianqiang, M, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDC
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BU of 8gdc by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 3 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Shiyi, G, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GDA
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BU of 8gda by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Jiangqian, M, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GD9
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BU of 8gd9 by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: 4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Shenming, H, Mengyao, X, Lei, L, Yang, D, Sheng, C, Jinpeng, S.
Deposit date:2023-03-03
Release date:2024-01-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GCP
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BU of 8gcp by Molmil
Cryo-EM Structure of the Prostaglandin E2 Receptor 4 Coupled to G Protein
Descriptor: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Huang, S.M, Xiong, M.Y, Liu, L, Mu, J, Sheng, C, Sun, J.
Deposit date:2023-03-02
Release date:2024-01-03
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Single hormone or synthetic agonist induces G s /G i coupling selectivity of EP receptors via distinct binding modes and propagating paths.
Proc.Natl.Acad.Sci.USA, 120, 2023
7CRH
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BU of 7crh by Molmil
Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex
Descriptor: (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yan, W, Shao, Z.H.
Deposit date:2020-08-13
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKW
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BU of 7ckw by Molmil
Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex
Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Yan, W, Shao, W.
Deposit date:2020-07-20
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKZ
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BU of 7ckz by Molmil
Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex
Descriptor: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Yan, W, Shao, Z.
Deposit date:2020-07-20
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKY
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BU of 7cky by Molmil
Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex
Descriptor: 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Yan, W, Shao, Z.
Deposit date:2020-07-20
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7CKX
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BU of 7ckx by Molmil
Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex
Descriptor: (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Yan, W, Shao, Z.
Deposit date:2020-07-20
Release date:2021-03-03
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
8H97
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BU of 8h97 by Molmil
GH86 agarase Aga86A_Wa
Descriptor: Beta-agarase, CALCIUM ION, HEXAETHYLENE GLYCOL
Authors:Zhang, Y.Y, Dong, S, Feng, Y.G, Chang, Y.G.
Deposit date:2022-10-25
Release date:2023-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural characterization on a beta-agarase Aga86A_Wa from Wenyingzhuangia aestuarii reveals the prevalent methyl-galactose accommodation capacity of GH86 enzymes at subsite -1.
Carbohydr Polym, 306, 2023
8H56
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BU of 8h56 by Molmil
Crystal structure of Rep' of porcine circovirus type 2
Descriptor: Isoform Rep' of Replication-associated protein
Authors:Guan, S.Y, Song, Y.F.
Deposit date:2022-10-12
Release date:2023-05-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of the dimerized of porcine circovirus type II replication-related protein Rep'.
Proteins, 91, 2023
8IVB
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BU of 8ivb by Molmil
K113-Ubiquitinated BAK
Descriptor: Bcl-2 homologous antagonist/killer, Ubiquitin
Authors:Dong, X, Cheng, P, Hou, Y.Z, Chen, Y.K, Liu, Z.
Deposit date:2023-03-26
Release date:2024-01-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Parkin-mediated ubiquitination inhibits BAK apoptotic activity by blocking its canonical hydrophobic groove.
Commun Biol, 6, 2023
7T2Z
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BU of 7t2z by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with 1-methyl-5-nitroimidazole
Descriptor: 1,2-ETHANEDIOL, 1-methyl-5-nitro-1H-imidazole, ACETIC ACID, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2547 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
7T33
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BU of 7t33 by Molmil
The structure of Haemophilus influenzae Rd KW20 nitroreductase complexed with nicotinic acid
Descriptor: FLAVIN MONONUCLEOTIDE, NICOTINIC ACID, Putative NAD(P)H nitroreductase, ...
Authors:Wanniarachchi, T.N, Bruner, S.D.
Deposit date:2021-12-06
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Biochemical and structural characterization of Haemophilus influenzae nitroreductase in metabolizing nitroimidazoles.
Rsc Chem Biol, 3, 2022
1KU5
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BU of 1ku5 by Molmil
Crystal Structure of recombinant histone HPhA from hyperthermophilic archaeon Pyrococcus horikoshii OT3
Descriptor: ACETATE ION, HPhA, SULFATE ION
Authors:Li, T, Sun, F, Ji, X, Feng, Y, Rao, Z.
Deposit date:2002-01-21
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure based hyperthermostability of archaeal histone HPhA from Pyrococcus horikoshii
J.MOL.BIOL., 325, 2003
4RNA
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BU of 4rna by Molmil
Crystal structure of PLpro from Middle East Respiratory Syndrome (MERS) coronavirus
Descriptor: PHOSPHATE ION, ZINC ION, papain-like protease
Authors:Lei, H, Santarsiero, B.D, Lee, H, Johnson, M.E.
Deposit date:2014-10-23
Release date:2015-03-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV.
Acs Chem.Biol., 10, 2015
7BQK
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BU of 7bqk by Molmil
The structure of PdxI in complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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BU of 7bql by Molmil
The crystal structure of PdxI complex with the Alder-ene adduct
Descriptor: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQJ
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BU of 7bqj by Molmil
The structure of PdxI
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
Authors:Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
Deposit date:2020-03-24
Release date:2020-10-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An enzymatic Alder-ene reaction.
Nature, 586, 2020

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