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8D0V
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BU of 8d0v by Molmil
Human LanCL1 C264A mutant bound to GSH
Descriptor: GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-05-26
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
5HMK
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BU of 5hmk by Molmil
HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor: E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
Authors:Scapin, G.
Deposit date:2016-01-16
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
5HMI
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BU of 5hmi by Molmil
HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
Authors:Scapin, G.
Deposit date:2016-01-16
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
8DSO
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BU of 8dso by Molmil
Structure of cIAP1, BTK and BCCov
Descriptor: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ...
Authors:Schiemer, J.S, Calabrese, M.F.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
8DSF
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BU of 8dsf by Molmil
Structure of cIAP1 with BCCov
Descriptor: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Schiemer, J.S, Calabrese, M.F.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
8TR3
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BU of 8tr3 by Molmil
Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CNE40 SOSIP Envelope glycoprotein gp120, ...
Authors:Chan, K.-W, Kong, X.P.
Deposit date:2023-08-09
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains.
Nat Commun, 15, 2024
5HMH
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BU of 5hmh by Molmil
HDM2 in complex with a 3,3-Disubstituted Piperidine
Descriptor: 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Scapin, G.
Deposit date:2016-01-16
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTV
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BU of 7dtv by Molmil
Human Calcium-Sensing Receptor bound with L-Trp and calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-04-14
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7E0B
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BU of 7e0b by Molmil
The crystal structure of sorting nexin 27 and PBM complex
Descriptor: PBM, Sorting nexin-27
Authors:Shang, G.J, Qi, J.X.
Deposit date:2021-01-27
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:SNX27 suppresses SARS-CoV-2 infection by inhibiting viral lysosome/late endosome entry.
Proc.Natl.Acad.Sci.USA, 119, 2022
7CFS
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BU of 7cfs by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, CHOLESTEROL HEMISUCCINATE, ...
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
7CFT
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BU of 7cft by Molmil
Cryo-EM strucutre of human acid-sensing ion channel 1a in complex with snake toxin Mambalgin1 at pH 8.0
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, Mambalgin-1
Authors:Sun, D.M, Liu, S.L, Li, S.Y, Yang, F, Tian, C.L.
Deposit date:2020-06-28
Release date:2020-10-21
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insights into human acid-sensing ion channel 1a inhibition by snake toxin mambalgin1.
Elife, 9, 2020
4G8B
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BU of 4g8b by Molmil
Crystal structures of N-acyl homoserine lactonase AidH S102G mutant complexed with N-hexanoyl homoserine lactone
Descriptor: Alpha/beta hydrolase fold protein, N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
4G9E
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BU of 4g9e by Molmil
Crystal structures of N-acyl homoserine lactonase AidH complexed with N-butanoyl homoserine
Descriptor: Alpha/beta hydrolase fold protein, N-butanoyl-L-homoserine
Authors:Liang, D.C, Yan, X.X, Gao, A.
Deposit date:2012-07-23
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.088 Å)
Cite:High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Acta Crystallogr.,Sect.D, 69, 2013
8YKY
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BU of 8yky by Molmil
Structure of human class T GPCR TAS2R14-Ggustducin complex with agonist 28.1
Descriptor: 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, G alpha gustducin protein, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-03-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQP
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BU of 8xqp by Molmil
Structure of human class T GPCR TAS2R14-Gustducin complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQN
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BU of 8xqn by Molmil
Structure of human class T GPCR TAS2R14-DNGi complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQL
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BU of 8xql by Molmil
Structure of human class T GPCR TAS2R14-miniGs/gust complex with Aristolochic acid A.
Descriptor: 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8XQT
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BU of 8xqt by Molmil
Structure of human class T GPCR TAS2R14-Gi complex.
Descriptor: CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Hu, X.L, Pei, Y, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
8IL7
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BU of 8il7 by Molmil
Structure of human soluble Adenylyl Cyclase in complex with lactate
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Adenylate cyclase type 10, GLYCEROL
Authors:Li, Q.J, Li, Z.L, Gao, P.
Deposit date:2023-03-02
Release date:2023-07-26
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Lactate modulates iron metabolism by binding soluble adenylyl cyclase.
Cell Metab., 35, 2023
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
Descriptor: Leukocyte elastase inhibitor
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
Descriptor: CHLORIDE ION, Granzyme H, SULFATE ION
Authors:Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
Deposit date:2012-07-25
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013

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PDB entries from 2024-09-18

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