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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
1VSC
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BU of 1vsc by Molmil
VCAM-1
Descriptor: VASCULAR CELL ADHESION MOLECULE-1
Authors:Wang, J, Stehle, T, Osborn, L.
Deposit date:1995-04-27
Release date:1996-06-20
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of an N-terminal two-domain fragment of vascular cell adhesion molecule 1 (VCAM-1): a cyclic peptide based on the domain 1 C-D loop can inhibit VCAM-1-alpha 4 integrin interaction.
Proc.Natl.Acad.Sci.USA, 92, 1995
6XY2
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BU of 6xy2 by Molmil
Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2020-01-29
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody.
Cell Discov, 6, 2020
1LSL
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BU of 1lsl by Molmil
Crystal Structure of the Thrombospondin-1 Type 1 Repeats
Descriptor: Thrombospondin 1, alpha-L-fucopyranose, beta-L-fucopyranose
Authors:Tan, K, Duquette, M, Liu, J, Dong, Y, Zhang, R, Joachimiak, A, Lawler, J, Wang, J.-H.
Deposit date:2002-05-17
Release date:2002-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the TSP-1 type 1 repeats: a novel layered fold and its biological implication.
J.Cell Biol., 159, 2002
3H3B
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BU of 3h3b by Molmil
Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain
Descriptor: Receptor tyrosine-protein kinase erbB-2, anti-ErbB2 antibody chA21
Authors:Zhou, H, Liu, Y, Niu, L, Zhu, J, Teng, M.
Deposit date:2009-04-16
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Insights into the Down-regulation of Overexpressed p185her2/neu Protein of Transformed Cells by the Antibody chA21.
J.Biol.Chem., 286, 2011
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:2023-11-29
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:2023-11-29
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
8AYR
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BU of 8ayr by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
Descriptor: CALCIUM ION, Coagulation factor 5/8 type domain protein
Authors:Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
Deposit date:2022-09-02
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXT
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BU of 8axt by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
Descriptor: CALCIUM ION, CHLORIDE ION, Sialidase domain-containing protein
Authors:Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
Deposit date:2022-08-31
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXS
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BU of 8axs by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
Descriptor: 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ...
Authors:Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
Deposit date:2022-08-31
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
8AXI
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BU of 8axi by Molmil
Sialidases and Fucosidases of Akkermansia muciniphila are key for rapid growth on colonic mucin and nutrient sharing amongst mucin-associated human gut microbiota
Descriptor: 1,2-ETHANEDIOL, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ...
Authors:Sakanaka, H, Nielsen, T.S, Pichler, M.J, Nordberg Karlsson, E, Abou Hachem, M, Morth, J.P.
Deposit date:2022-08-31
Release date:2023-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Sialidases and fucosidases of Akkermansia muciniphila are crucial for growth on mucin and nutrient sharing with mucus-associated gut bacteria.
Nat Commun, 14, 2023
6WBW
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BU of 6wbw by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-27
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
6WBZ
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BU of 6wbz by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group
Descriptor: (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Yu, W.
Deposit date:2020-03-28
Release date:2020-05-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
3J1P
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BU of 3j1p by Molmil
Atomic model of rabbit hemorrhagic disease virus
Descriptor: Major capsid protein VP60
Authors:Wang, X, Liu, Y, Sun, F.
Deposit date:2012-04-09
Release date:2013-01-30
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Atomic model of rabbit hemorrhagic disease virus by cryo-electron microscopy and crystallography.
Plos Pathog., 9, 2013
1D9K
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BU of 1d9k by Molmil
CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ...
Authors:Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H.
Deposit date:1999-10-28
Release date:1999-12-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The crystal structure of a T cell receptor in complex with peptide and MHC class II.
Science, 286, 1999
4M57
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BU of 4m57 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 from maize
Descriptor: Chloroplast pentatricopeptide repeat protein 10
Authors:Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N.
Deposit date:2013-08-08
Release date:2013-10-30
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
3EVX
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BU of 3evx by Molmil
Crystal structure of the human E2-like ubiquitin-fold modifier conjugating enzyme 1 (Ufc1). Northeast Structural Genomics Consortium target HR41
Descriptor: THIOCYANATE ION, Ufm1-conjugating enzyme 1
Authors:Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-10-13
Release date:2008-10-21
Last modified:2023-01-04
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway.
J.STRUCT.FUNCT.GENOM., 10, 2009
2QKW
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BU of 2qkw by Molmil
Structural basis for activation of plant immunity by bacterial effector protein AvrPto
Descriptor: Avirulence protein, Protein kinase
Authors:Xing, W.M, Zou, Y, Liu, Q, Hao, Q, Zhou, J.M, Chai, J.J.
Deposit date:2007-07-11
Release date:2007-08-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis for activation of plant immunity by bacterial effector protein AvrPto
Nature, 449, 2007
6XEC
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BU of 6xec by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND O)
Descriptor: (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
Descriptor: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
Descriptor: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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BU of 8ex2 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
Descriptor: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Sampathkumar, P, Hubbard, S.R.
Deposit date:2022-10-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
6XEB
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BU of 6xeb by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
Descriptor: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
7QUR
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BU of 7qur by Molmil
SARS-CoV-2 Spike with ethylbenzamide-tri-iodo Siallyllactose, C3 symmetry
Descriptor: 2,3,5-tris(iodanyl)benzamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Naismith, J.H, Yang, Y, Liu, J.W.
Deposit date:2022-01-18
Release date:2022-06-01
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Pathogen-sugar interactions revealed by universal saturation transfer analysis.
Science, 377, 2022

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數據於2024-07-24公開中

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