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5F8U
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BU of 5f8u by Molmil
Ligand occupancy in crystal structure of beta1-adrenergic receptor previously submitted by Huang et al
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor
Authors:Leslie, A.G.W, Warne, A, Tate, C.G.
Deposit date:2015-12-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor
Nat.Struct.Mol.Biol., 22, 2015
5WXG
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BU of 5wxg by Molmil
Structure of TAF PHD finger domain binds to H3(1-15)K4ac
Descriptor: Histone H3K4ac, MAGNESIUM ION, Transcription initiation factor TFIID subunit 3, ...
Authors:Zhao, S, Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5J91
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BU of 5j91 by Molmil
Structure of the Wild-type 70S E coli ribosome bound to Tigecycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-08
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J5B
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BU of 5j5b by Molmil
Structure of the WT E coli ribosome bound to tetracycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-01
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J8A
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BU of 5j8a by Molmil
Structure of the E coli 70S ribosome with the U1052G mutation in 16S rRNA bound to tigecycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-07
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JC9
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BU of 5jc9 by Molmil
Structure of the Escherichia coli ribosome with the U1052G mutation in the 16S rRNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-14
Release date:2016-07-06
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
5J7L
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BU of 5j7l by Molmil
Structure of the 70S E coli ribosome with the U1052G mutation in the 16S rRNA bound to tetracycline
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ...
Authors:Cocozaki, A, Ferguson, A.
Deposit date:2016-04-06
Release date:2016-07-27
Last modified:2018-08-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors.
Proc.Natl.Acad.Sci.USA, 113, 2016
8YLB
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BU of 8ylb by Molmil
Cocrystal structures of agonists compound 1 with HsClpP
Descriptor: 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Zhao, N, Zhu, Y, Bao, R.
Deposit date:2024-03-06
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
8UWA
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BU of 8uwa by Molmil
VH1-18 QxxV class antibody 09-1B12 bound to A/Perth/16/2009 H3N2 hemagglutinin
Descriptor: 09-1B12 heavy chain, 09-1B12 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Maurer, D.P.
Deposit date:2023-11-06
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (4.02 Å)
Cite:Eliciting a single amino acid change by vaccination generates antibody protection against group 1 and group 2 influenza A viruses.
Immunity, 57, 2024
6KZE
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BU of 6kze by Molmil
The crystal structue of PDE10A complexed with 4d
Descriptor: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B.
Deposit date:2019-09-24
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.50003481 Å)
Cite:Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension
To Be Published
6LID
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BU of 6lid by Molmil
Heteromeric amino acid transporter b0,+AT-rBAT complex
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2019-12-10
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
6L5M
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BU of 6l5m by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6LI9
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BU of 6li9 by Molmil
Heteromeric amino acid transporter b0,+AT-rBAT complex bound with Arginine
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARGININE, ...
Authors:Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2019-12-10
Release date:2020-04-29
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
6L5N
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BU of 6l5n by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at post-unwound state
Descriptor: MAGNESIUM ION, Nucleolar RNA helicase 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6L5L
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BU of 6l5l by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at apo state
Descriptor: MAGNESIUM ION, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
6L5O
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BU of 6l5o by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at post-hydrolysis state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020
4W5S
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BU of 4w5s by Molmil
Tankyrase in complex with compound
Descriptor: 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, GLYCEROL, Tankyrase-1, ...
Authors:Johannes, J, Kazmirski, S.L, Boriack-Sjodin, P.A, Howard, T.
Deposit date:2014-08-18
Release date:2015-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
7T8N
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BU of 7t8n by Molmil
Crystal structure of the PNAG binding module PgaA-TPR 220-359
Descriptor: CHLORIDE ION, MAGNESIUM ION, Poly-beta-1,6-N-acetyl-D-glucosamine export protein
Authors:Pfoh, R, Little, D.J, Howell, P.L.
Deposit date:2021-12-16
Release date:2022-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing.
Plos Pathog., 18, 2022
6KYA
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BU of 6kya by Molmil
Crystal structure of human TLR8 in complex TH1027
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol, ...
Authors:Tanji, H, Sakaniwa, K, Ohto, U, Shimizu, T.
Deposit date:2019-09-17
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface.
J.Med.Chem., 63, 2020
6LKC
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BU of 6lkc by Molmil
Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Zhang, M.L, Li, Q, Meng, S.S, Guo, L.J, He, L, Huang, J.Z, Li, L, Zhang, H.D.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural Insights into the Trans -Acting Enoyl Reductase in the Biosynthesis of Long-Chain Polyunsaturated Fatty Acids in Shewanella piezotolerans .
J.Agric.Food Chem., 69, 2021
4TVP
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BU of 4tvp by Molmil
Crystal Structure of the HIV-1 BG505 SOSIP.664 Env Trimer Ectodomain, Comprising Atomic-Level Definition of Pre-Fusion gp120 and gp41, in Complex with Human Antibodies PGT122 and 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ...
Authors:Pancera, M, Zhou, T, Kwong, P.D.
Deposit date:2014-06-27
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure and immune recognition of trimeric pre-fusion HIV-1 Env.
Nature, 514, 2014
8H6T
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BU of 8h6t by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective small molecule inhibitor
Descriptor: (1R,3S)-3-{3-[(pyridin-2-yl)amino]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H6P
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BU of 8h6p by Molmil
Complex structure of CDK2/Cyclin E1 and a potent, selective macrocyclic inhibitor
Descriptor: (7S,10R)-11-oxa-2,4,5,13,17,23-hexaazatetracyclo[17.3.1.1~3,6~.1~7,10~]pentacosa-1(23),3(25),5,19,21-pentaene-12,18-dione, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Ren, X.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Accelerated Discovery of Macrocyclic CDK2 Inhibitor QR-6401 by Generative Models and Structure-Based Drug Design.
Acs Med.Chem.Lett., 14, 2023
8H3E
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BU of 8h3e by Molmil
Complex structure of a small molecule (SPC-14) bound SARS-CoV-2 spike protein, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid, Spike glycoprotein,Fibritin
Authors:Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
Deposit date:2022-10-08
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023
8H3D
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BU of 8h3d by Molmil
Structure of apo SARS-CoV-2 spike protein with one RBD up
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin
Authors:Meng, F, Wang, Q, Xie, Y, Ni, X, Huang, N.
Deposit date:2022-10-08
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:In Silico Discovery of Small Molecule Modulators Targeting the Achilles' Heel of SARS-CoV-2 Spike Protein.
Acs Cent.Sci., 9, 2023

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