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7LD3
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BU of 7ld3 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist and an allosteric ligand
Descriptor: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
Deposit date:2021-01-12
Release date:2021-09-08
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
7LD4
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BU of 7ld4 by Molmil
Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist
Descriptor: ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Draper-Joyce, C.J, Danev, R, Thal, D.M, Christopoulos, A, Glukhova, A.
Deposit date:2021-01-12
Release date:2021-09-08
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Positive allosteric mechanisms of adenosine A 1 receptor-mediated analgesia.
Nature, 597, 2021
7DV5
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BU of 7dv5 by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
Descriptor: Bile salt export pump, TAUROCHOLIC ACID
Authors:Wang, L, How, W.T, Chen, Y.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7LD5
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BU of 7ld5 by Molmil
polynucleotide phosphorylase
Descriptor: MAGNESIUM ION, Polyribonucleotide nucleotidyltransferase, poly-A RNA fragment
Authors:Goldgur, Y, Shuman, S, De La Cruz, M.J, Ghosh, S, Unciuleac, M.-C.
Deposit date:2021-01-12
Release date:2021-06-30
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structure and mechanism of Mycobacterium smegmatis polynucleotide phosphorylase.
Rna, 27, 2021
7LCU
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BU of 7lcu by Molmil
X-ray structure of Furin bound to BOS-318, a small molecule inhibitor
Descriptor: (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Campobasso, N, Reid, R.
Deposit date:2021-01-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 2022
7DUU
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BU of 7duu by Molmil
Crystal structure of HLA molecule with an KIR receptor
Descriptor: Beta-2-microglobulin, Killer cell immunoglobulin-like receptor 2DS2, LEU-ASN-PRO-SER-VAL-ALA-ALA-THR-LEU, ...
Authors:Yang, Y, Yin, L.
Deposit date:2021-01-11
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Activating receptor KIR2DS2 bound to HLA-C1 reveals the novel recognition features of activating receptor.
Immunology, 165, 2022
7BHN
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BU of 7bhn by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 2 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHM
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BU of 7bhm by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.7 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHK
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BU of 7bhk by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHL
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BU of 7bhl by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.2 s mixing with N-acetyl-D-glucosamine.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7LCK
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BU of 7lck by Molmil
PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R)
Descriptor: 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor
Authors:Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M.
Deposit date:2021-01-11
Release date:2021-01-20
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Evolving cryo-EM structural approaches for GPCR drug discovery.
Structure, 29, 2021
7LCI
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BU of 7lci by Molmil
PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex
Descriptor: 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M.
Deposit date:2021-01-11
Release date:2021-01-20
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Evolving cryo-EM structural approaches for GPCR drug discovery.
Structure, 29, 2021
7LCJ
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BU of 7lcj by Molmil
PF 06882961 bound to the glucagon-like peptide-1 receptor (GLP-1R):Gs complex
Descriptor: 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor
Authors:Belousoff, M.J, Johnson, R.M, Drulyte, I, Yu, L, Kotecha, A, Danev, R, Wootten, D, Zhang, X, Sexton, P.M.
Deposit date:2021-01-11
Release date:2021-01-20
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Evolving cryo-EM structural approaches for GPCR drug discovery.
Structure, 29, 2021
7LCM
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BU of 7lcm by Molmil
Receiver Domain of RssB bound to beryllofluoride
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Regulator of RpoS
Authors:Deaconescu, A.M, Schwartz, J, Son, J.
Deposit date:2021-01-11
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Phospho-dependent signaling during the general stress response by the atypical response regulator and ClpXP adaptor RssB.
Protein Sci., 30, 2021
7DUQ
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BU of 7duq by Molmil
Cryo-EM structure of the compound 2 and GLP-1-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-07-14
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7DUR
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BU of 7dur by Molmil
Cryo-EM structure of the compound 2-bound human GLP-1 receptor-Gs complex
Descriptor: CHOLESTEROL, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Cong, Z, Chen, L, Ma, H, Zhou, Q, Zou, X, Ye, C, Dai, A, Liu, Q, Huang, W, Sun, X, Wang, X, Xu, P, Zhao, L, Xia, T, Zhong, W, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2021-01-11
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor.
Nat Commun, 12, 2021
7BGZ
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BU of 7bgz by Molmil
Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand
Descriptor: 1,2-ETHANEDIOL, Beta-lactoglobulin, DECANOIC ACID
Authors:Loch, J.I, Siuda, M.K, Lewinski, K.
Deposit date:2021-01-09
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BH0
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BU of 7bh0 by Molmil
Mutant L39Y of recombinant beta-lactoglobulin in complex with endogenous ligand
Descriptor: Beta-lactoglobulin, CHLORIDE ION, LAURIC ACID
Authors:Loch, J.I, Siuda, M.K, Lewinski, K.
Deposit date:2021-01-09
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7LC2
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BU of 7lc2 by Molmil
Crystal Structure of KRAS4b-Q61R (GMPPNP-bound) in complex with the RAS-binding domain (RBD) of SIN1
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2021-01-09
Release date:2021-07-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LC1
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BU of 7lc1 by Molmil
Crystal Structure of KRAS4b (GMPPNP-bound) in complex with the RBD-PH domains of SIN1
Descriptor: Isoform 2B of GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2021-01-09
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:RAS interaction with Sin1 is dispensable for mTORC2 assembly and activity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7BGX
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BU of 7bgx by Molmil
Mutant F105L of recombinant beta-lactoglobulin
Descriptor: Beta-lactoglobulin, GLYCEROL, SULFATE ION
Authors:Loch, J.I, Wrobel, P, Lewinski, K.
Deposit date:2021-01-08
Release date:2021-01-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BGT
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BU of 7bgt by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: ACETATE ION, Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, ...
Authors:Wosicki, S, Gilski, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
7BGU
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BU of 7bgu by Molmil
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Descriptor: Gag-Pro-Pol polyprotein, PENTAETHYLENE GLYCOL, peptidomimetic inhibitor
Authors:Wosicki, S, Gilski, M, Kazmierczyk, M, Jaskolski, M, Zabranska, H, Pichova, I.
Deposit date:2021-01-08
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.433 Å)
Cite:Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops.
Protein Sci., 30, 2021
7LBM
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BU of 7lbm by Molmil
Structure of the human Mediator-bound transcription pre-initiation complex
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Abdella, R, Talyzina, A, He, Y.
Deposit date:2021-01-08
Release date:2021-03-24
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structure of the human Mediator-bound transcription preinitiation complex.
Science, 372, 2021
7LB8
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BU of 7lb8 by Molmil
Structure of a ferrichrome importer FhuCDB from E. coli
Descriptor: Iron(3+)-hydroxamate import ATP-binding protein FhuC, Iron(3+)-hydroxamate import system permease protein FhuB, Iron(3+)-hydroxamate-binding protein FhuD
Authors:Hu, W, Zheng, H.
Deposit date:2021-01-07
Release date:2021-11-24
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM reveals unique structural features of the FhuCDB Escherichia coli ferrichrome importer.
Commun Biol, 4, 2021

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