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6GB1
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BU of 6gb1 by Molmil
Crystal structure of the GLP1 receptor ECD with Peptide 11
分子名称: Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ...
著者Schreuder, H.A, Liesum, A.
登録日2018-04-13
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists Specifically Optimized for Multidose Formulations.
J. Med. Chem., 61, 2018
7Z1S
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BU of 7z1s by Molmil
X-ray crystal structure of SLPYL1-NIO complex
分子名称: GLYCEROL, NICOTINIC ACID, SlPYL1-NIO
著者Infantes, L, Albert, A.
登録日2022-02-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
7Z1P
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BU of 7z1p by Molmil
X-ray crystal structure of SLPYL1-E151D mutant
分子名称: SLPYL1-E151D
著者Infantes, L, Albert, A.
登録日2022-02-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
7Z1Q
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BU of 7z1q by Molmil
X-ray crystal structure of SLPYL1-E151D mutant with NIO molecules
分子名称: GLYCEROL, NICOTINIC ACID, SULFATE ION, ...
著者Infantes, L, Albert, A.
登録日2022-02-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.683 Å)
主引用文献Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
7Z1R
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BU of 7z1r by Molmil
X-ray crystal structure of SLPYL1-E151D mutant ABA complex
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, GLYCEROL, SlPYL1-E151D ABA
著者Infantes, L, Albert, A.
登録日2022-02-25
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structure-Based Modulation of the Ligand Sensitivity of a Tomato Dimeric Abscisic Acid Receptor Through a Glu to Asp Mutation in the Latch Loop.
Front Plant Sci, 13, 2022
7OVT
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BU of 7ovt by Molmil
major seeded in vitro fibril morphology from murine SAA1.1 protein
分子名称: Serum amyloid A-2 protein
著者Heerde, T, Schmidt, M, Faendrich, M.
登録日2021-06-15
公開日2022-02-02
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding.
Nat Commun, 13, 2022
7TP3
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
分子名称: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
7TP4
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BU of 7tp4 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K398.22
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, K398.22 heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2022-01-24
公開日2022-02-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
9H28
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Alternative conformation LGTV with TBEV prME
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, ...
著者Bisikalo, K, Rosendal, E.
登録日2024-10-11
公開日2024-11-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献The influence of the pre-membrane and envelope proteins on structure, pathogenicity and tropism of tick-borne encephalitis virus
Biorxiv, 2024
9FK0
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LGTV with TBEV prME
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, ...
著者Bisikalo, K, Rosendal, E.
登録日2024-06-01
公開日2024-11-06
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献The influence of the pre-membrane and envelope proteins on structure, pathogenicity and tropism of tick-borne encephalitis virus
Biorxiv, 2024
9FOJ
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LGTV TP21. Langat virus, strain TP21
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ...
著者Bisikalo, K, Rosendal, E.
登録日2024-06-12
公開日2024-11-06
最終更新日2024-11-27
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献The influence of the pre-membrane and envelope proteins on structure, pathogenicity and tropism of tick-borne encephalitis virus
Biorxiv, 2024
8E1O
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BU of 8e1o by Molmil
Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4
著者Noland, C.L, Dey, A, Zbieg, J, Crawford, J.
登録日2022-08-10
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation
Biorxiv, 2024
6AX5
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BU of 6ax5 by Molmil
RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1.
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
登録日2017-09-06
公開日2017-10-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication.
Nat Commun, 12, 2021
9CDX
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BU of 9cdx by Molmil
Crystal structure of DLK with inhibitor bound
分子名称: (5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12
著者Skene, R.J, Bell, J.A.
登録日2024-06-25
公開日2025-02-19
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury.
J.Med.Chem., 68, 2025
9CDY
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BU of 9cdy by Molmil
Crystal structure of DLK with inhibitor bound
分子名称: 1,2-ETHANEDIOL, 3-{(3M)-3-[6-amino-5-(trifluoromethoxy)pyridin-3-yl]-1-ethyl-7-oxo-1,7-dihydro-6H-pyrazolo[3,4-c]pyridin-6-yl}-1,5-anhydro-3,4-dideoxy-2-O-methyl-D-erythro-pentitol, MAGNESIUM ION, ...
著者Skene, R.J, Bell, J.A.
登録日2024-06-25
公開日2025-02-19
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献In Silico Enabled Discovery of KAI-11101, a Preclinical DLK Inhibitor for the Treatment of Neurodegenerative Disease and Neuronal Injury.
J.Med.Chem., 68, 2025
8VWX
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BU of 8vwx by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein
分子名称: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
著者Baird, J, Holliday, M.
登録日2024-02-02
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXN
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BU of 8vxn by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to Maltose-Binding Protein
分子名称: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
著者Baird, J, Holliday, M.
登録日2024-02-05
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VXM
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Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Baird, J, Holliday, M.
登録日2024-02-05
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
8VWZ
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BU of 8vwz by Molmil
Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
分子名称: DI(HYDROXYETHYL)ETHER, Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Baird, J, Holliday, M.
登録日2024-02-02
公開日2024-10-02
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Hydrogen/Deuterium Exchange and Protein Oxidative Footprinting with Mass Spectrometry Collectively Discriminate the Binding of Small-Molecule Therapeutics to Bcl-2.
Anal.Chem., 97, 2025
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
分子名称: Alpha-synuclein
著者Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
登録日2024-03-28
公開日2024-06-05
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (1.93 Å)
主引用文献1.94 angstrom structure of synthetic alpha-synuclein fibrils seeding MSA neuropathology
Biorxiv, 2024
8U5L
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MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1
分子名称: Capsid protein VP1, scFv fragment of the monoclonal antibody MAU868
著者Knapp, M.S, Ornelas, E.
登録日2023-09-12
公開日2024-08-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nonclinical and clinical characterization of MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK polyomavirus VP1.
Am J Transplant, 24, 2024
4N48
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BU of 4n48 by Molmil
Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 Protein in complex with capped RNA fragment
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
著者Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
登録日2013-10-08
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
8VBL
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BU of 8vbl by Molmil
Structure of bovine anti-HIV Fab ElsE6
分子名称: Bovine Fab ElsE6 heavy chain, Bovine Fab ElsE6 light chain
著者Stanfield, R.L, Wilson, I.A.
登録日2023-12-12
公開日2024-09-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
8VBR
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BU of 8vbr by Molmil
Structure of bovine anti-HIV Fab ElsE11
分子名称: Bovine Fab ElsE11 light chain, Bovine Fab Else11 heavy chain
著者Stanfield, R.L, Wilson, I.A.
登録日2023-12-12
公開日2024-09-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
8VBM
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BU of 8vbm by Molmil
Structure of bovine anti-HIV Fab ElsE7
分子名称: Bovine Fab ElsE7 heavy chain, Bovine Fab ElsE7 light chain
著者Stanfield, R.L, Wilson, I.A.
登録日2023-12-12
公開日2024-09-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024

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