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8KB1
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BU of 8kb1 by Molmil
Crystal structure of 11JD
Descriptor: Beta2-microglobulin, MHC class I antigen, peptide of AIV
Authors:Tang, Z, Zhang, N.
Deposit date:2023-08-03
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The impact of micropolymorphism in Anpl-UAA on structural stability and peptide presentation.
Int.J.Biol.Macromol., 267, 2024
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
7C8G
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BU of 7c8g by Molmil
Structure of alginate lyase AlyC3
Descriptor: Alginate lyase AlyC3, GLYCEROL, SUCCINIC ACID
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7C8F
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BU of 7c8f by Molmil
Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
Descriptor: H127A/Y244A mutant of alginate lyase AlyC3 in complex with dimannuronate, MALONATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7N6W
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BU of 7n6w by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, S, Wang, K, Mao, Y.
Deposit date:2021-06-09
Release date:2021-09-22
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7N6U
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BU of 7n6u by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, S, Wang, K, Mao, Y.
Deposit date:2021-06-09
Release date:2021-09-22
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
5K04
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BU of 5k04 by Molmil
The NatB Acetyltransferase Complex Bound To CoA and MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ...
Authors:Hong, H, Cai, Y, Zhang, S, Han, A.
Deposit date:2016-05-17
Release date:2017-04-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB
Structure, 25, 2017
5K18
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BU of 5k18 by Molmil
The NatB Acetyltransferase Complex Bound To bisubstrate inhibitor
Descriptor: Bisubstrate inhibitor, COENZYME A, N-terminal acetyltransferase B complex subunit NAT3, ...
Authors:Hong, H, Cai, Y, Zhang, S, Han, A.
Deposit date:2016-05-17
Release date:2017-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Molecular Basis of Substrate Specific Acetylation by N-Terminal Acetyltransferase NatB
Structure, 25, 2017
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
8FAE
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BU of 8fae by Molmil
Asymmetric structure of cleaved HIV-1 AE2 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles (AE2.1)
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, K, Zhang, S, Sodroski, J, Mao, Y.
Deposit date:2022-11-26
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
8FAD
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BU of 8fad by Molmil
Asymmetric structure of cleaved HIV-1 AD8 envelope glycoprotein trimer in styrene-maleic acid lipid nanoparticles
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, K, Zhang, S, Sodroski, J, Mao, Y.
Deposit date:2022-11-26
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Asymmetric conformations of cleaved HIV-1 envelope glycoprotein trimers in styrene-maleic acid lipid nanoparticles.
Commun Biol, 6, 2023
5LOV
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BU of 5lov by Molmil
DZ-2384 tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DZ 2384, ...
Authors:Prota, A.E, Steinmetz, M.O, Shore, G.C, Brouhard, G, Roulston, A.
Deposit date:2016-08-10
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The synthetic diazonamide DZ-2384 has distinct effects on microtubule curvature and dynamics without neurotoxicity.
Sci Transl Med, 8, 2016
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
4FD6
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BU of 4fd6 by Molmil
Crystal structure of native arylalkylamine N-Acetyltransferase 2 from the yellow fever mosquito, Aedes aegypti
Descriptor: arylalkylamine N-Acetyltransferase 2
Authors:Han, Q, Robinson, R, Li, J.
Deposit date:2012-05-26
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FD7
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BU of 4fd7 by Molmil
Crystal structure of insect putative arylalkylamine N-Acetyltransferase 7 from the yellow fever mosquito Aedes aegypt
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, SULFATE ION, ...
Authors:Han, Q, Robinson, R, Li, J.
Deposit date:2012-05-26
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti.
Proc.Natl.Acad.Sci.USA, 109, 2012
3NSQ
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BU of 3nsq by Molmil
Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron
Descriptor: 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
3NSP
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BU of 3nsp by Molmil
Crystal structure of tetrameric RXRalpha-LBD
Descriptor: Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
8JI8
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BU of 8ji8 by Molmil
Crystal Structure of Prophenoloxidase PPO6 chimeric mutant (F215EASNRAIVD224 to G215DGPDSVVR223) from Aedes aegypti
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, ...
Authors:Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
Deposit date:2023-05-26
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mosquitoes have evolved two types of prophenoloxidases
To Be Published
8JIB
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BU of 8jib by Molmil
Crystal Structure of Prophenoloxidase PPO6 from Aedes aegypti
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, TK receptor
Authors:Zhu, X, Zhang, L, Yang, X, Bao, P, Ren, D, Han, Q.
Deposit date:2023-05-26
Release date:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mosquitoes have evolved two types of prophenoloxidases
To Be Published
5Z5T
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BU of 5z5t by Molmil
The first bromodomain of BRD4 with compound BDF-2141
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinolin-8-ol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5V
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BU of 5z5v by Molmil
The first bromodomain of BRD4 with compound BDF-1253
Descriptor: Bromodomain-containing protein 4, N-{8-hydroxy-4-[(1H-imidazol-1-yl)methyl]quinolin-2-yl}acetamide
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5Z5U
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BU of 5z5u by Molmil
The first bromodomain of BRD4 with compound BDF-2254
Descriptor: 2-amino-4-(1H-imidazol-1-yl)quinoline-6,8-diol, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2018-01-20
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Development and evaluation of a novel series of Nitroxoline-derived BET inhibitors with antitumor activity in renal cell carcinoma.
Oncogenesis, 7, 2018
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017

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PDB entries from 2024-08-21

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