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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:2024-11-06
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
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
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5DJ5
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BU of 5dj5 by Molmil
Crystal structure of rice DWARF14 in complex with synthetic strigolactone GR24
Descriptor: (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one, Probable strigolactone esterase D14
Authors:Zhou, X.E, Zhao, L.-H, Yi, W, Wu, Z.-S, Liu, Y, Kang, Y, Hou, L, de Waal, P.W, Li, S, Jiang, Y, Melcher, K, Xu, H.E.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Destabilization of strigolactone receptor DWARF14 by binding of ligand and E3-ligase signaling effector DWARF3.
Cell Res., 25, 2015
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
9J0K
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BU of 9j0k by Molmil
An agonist(compound 14e)of Thyroid Hormone Receptor B
Descriptor: 2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-08-02
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
9IX5
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BU of 9ix5 by Molmil
An agonist(compound 15n) of Thyroid Hormone Receptor B
Descriptor: 2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid, Nuclear receptor coactivator 2, Thyroid hormone receptor beta
Authors:Yao, B, Li, Y.
Deposit date:2024-07-26
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a Potent, Selective, and Multiple His435 Mutation-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 2025
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
5DH5
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BU of 5dh5 by Molmil
PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: MAGNESIUM ION, N-[(1-methyl-1H-pyrazol-4-yl)methyl]-5-{[(1S,2S)-2-(pyridin-2-yl)cyclopropyl]methoxy}pyrazolo[1,5-a]pyrimidin-7-amine, ZINC ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
8ZXV
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BU of 8zxv by Molmil
sweet protein MNEI-Mut 6-4
Descriptor: Monellin chain B,Monellin chain A
Authors:You, T.J, Liu, S.
Deposit date:2024-06-15
Release date:2025-06-18
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural Basis for the Exceptional Thermal Stability of the Boiling-Resistant Sweet Protein MNEI.
J.Agric.Food Chem., 73, 2025
8ZXT
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BU of 8zxt by Molmil
sweet protein MNEI-Mut 6-3
Descriptor: Monellin chain B,Monellin chain A
Authors:You, T.J, Liu, S.
Deposit date:2024-06-15
Release date:2025-06-18
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for the Exceptional Thermal Stability of the Boiling-Resistant Sweet Protein MNEI.
J.Agric.Food Chem., 73, 2025
8ZXY
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BU of 8zxy by Molmil
sweet protein MNEI-Mut 6-2
Descriptor: Monellin chain B,Monellin chain A
Authors:You, T.J, Liu, S.
Deposit date:2024-06-15
Release date:2025-06-18
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural Basis for the Exceptional Thermal Stability of the Boiling-Resistant Sweet Protein MNEI.
J.Agric.Food Chem., 73, 2025
8ZXJ
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BU of 8zxj by Molmil
Sweet protein MNEI-Mut 6-1
Descriptor: Monellin chain B,Monellin chain A
Authors:You, T.J, Liu, S.
Deposit date:2024-06-14
Release date:2025-06-18
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for the Exceptional Thermal Stability of the Boiling-Resistant Sweet Protein MNEI.
J.Agric.Food Chem., 73, 2025
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
7EW5
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BU of 7ew5 by Molmil
immune complex of HPV6 L1 pentamer and neutralizing antibody 13H5
Descriptor: Heavy chain of 13H5, Light chain of 13H5, Major capsid protein L1
Authors:Wang, Z.P, Wang, D.N, Gu, Y, Li, S.W.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (3.606 Å)
Cite:Rational design of a cross-type HPV vaccine through immunodominance shift guided by a cross-neutralizing antibody.
Sci Bull (Beijing), 69, 2024
7F8I
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BU of 7f8i by Molmil
Crystal structure of HPV6 L1 pentamer
Descriptor: Major capsid protein L1
Authors:Wang, Z.P, Wang, D.N, Gu, Y, Li, S.W.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (3.366 Å)
Cite:Rational design of a cross-type HPV vaccine through immunodominance shift guided by a cross-neutralizing antibody.
Sci Bull (Beijing), 69, 2024
9ISF
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BU of 9isf by Molmil
Crystal structure of nanobody 14 in complex with HSV-2 gD
Descriptor: Glycoprotein D, Nanobody 14
Authors:Hu, J, Jin, T.C.
Deposit date:2024-07-17
Release date:2025-05-28
Method:X-RAY DIFFRACTION (3.72 Å)
Cite:A potent protective bispecific nanobody targeting Herpes simplex virus gD reveals vulnerable epitope for neutralizing.
Nat Commun, 16, 2025
9IVU
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BU of 9ivu by Molmil
Crystal structure of Ang1-A451D receptor binding domain
Descriptor: Angiopoietin-1
Authors:Wang, R, Huang, M.D, Jiang, L.G.
Deposit date:2024-07-24
Release date:2025-07-02
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Development of a recombinant Ang1 variant with enhanced Tie2 binding and its application to attenuate sepsis in mice.
Sci Adv, 11, 2025
9IVT
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BU of 9ivt by Molmil
Crystal structure of Ang1 receptor-binding domain
Descriptor: Angiopoietin-1
Authors:Wang, R, Huang, M.D, Jiang, L.G.
Deposit date:2024-07-24
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of a recombinant Ang1 variant with enhanced Tie2 binding and its application to attenuate sepsis in mice.
Sci Adv, 11, 2025
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
5PGU
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BU of 5pgu by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
Descriptor: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017

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數據於2025-07-09公開中

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