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6GB1
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BU of 6gb1 by Molmil
Crystal structure of the GLP1 receptor ECD with Peptide 11
Descriptor: Glucagon-like peptide 1 receptor, HEXANE-1,6-DIOL, Peptide 11, ...
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2018-04-13
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.73 Å)
Cite: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
Descriptor: GLYCEROL, NICOTINIC ACID, SlPYL1-NIO
Authors:Infantes, L, Albert, A.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: SLPYL1-E151D
Authors:Infantes, L, Albert, A.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite: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
Descriptor: GLYCEROL, NICOTINIC ACID, SULFATE ION, ...
Authors:Infantes, L, Albert, A.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.683 Å)
Cite: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
Descriptor: (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
Authors:Infantes, L, Albert, A.
Deposit date:2022-02-25
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.601 Å)
Cite: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
Descriptor: Serum amyloid A-2 protein
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite: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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BU of 7tp3 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
Descriptor: CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: 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, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2022-01-24
Release date:2022-02-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
9H28
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BU of 9h28 by Molmil
Alternative conformation LGTV with TBEV prME
Descriptor: 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, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-10-11
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite: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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BU of 9fk0 by Molmil
LGTV with TBEV prME
Descriptor: 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, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-06-01
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite: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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BU of 9foj by Molmil
LGTV TP21. Langat virus, strain TP21
Descriptor: 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, ...
Authors:Bisikalo, K, Rosendal, E.
Deposit date:2024-06-12
Release date:2024-11-06
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite: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
Descriptor: 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
Authors:Noland, C.L, Dey, A, Zbieg, J, Crawford, J.
Deposit date:2022-08-10
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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.
Descriptor: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
Authors:Girvin, M.E, Cahill, S.M, Harris, R, Cowburn, D, Spira, M, Wu, X, Prakash, R, Bernowitz, M, Almo, S.C, Kalpana, G.V.
Deposit date:2017-09-06
Release date:2017-10-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: (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
Authors:Skene, R.J, Bell, J.A.
Deposit date:2024-06-25
Release date:2025-02-19
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.38 Å)
Cite: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
Descriptor: 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, ...
Authors:Skene, R.J, Bell, J.A.
Deposit date:2024-06-25
Release date:2025-02-19
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-02
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: Maltose/maltodextrin-binding periplasmic protein fused to apoptosis regulator Bcl-2/Bcl-xL chimera
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-05
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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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BU of 8vxm by Molmil
Human Bcl-2/Bcl-xL Chimera Fused to MBP in Complex with Inhibitor S55746
Descriptor: 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
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-05
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Baird, J, Holliday, M.
Deposit date:2024-02-02
Release date:2024-10-02
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.33 Å)
Cite: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
Descriptor: Alpha-synuclein
Authors: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.
Deposit date:2024-03-28
Release date:2024-06-05
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:1.94 angstrom structure of synthetic alpha-synuclein fibrils seeding MSA neuropathology
Biorxiv, 2024
8U5L
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BU of 8u5l by Molmil
MAU868, a novel human-derived monoclonal neutralizing antibody targeting BK virus VP1
Descriptor: Capsid protein VP1, scFv fragment of the monoclonal antibody MAU868
Authors:Knapp, M.S, Ornelas, E.
Deposit date:2023-09-12
Release date:2024-08-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, S-ADENOSYLMETHIONINE, ...
Authors:Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.704 Å)
Cite: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
Descriptor: Bovine Fab ElsE6 heavy chain, Bovine Fab ElsE6 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Bovine Fab ElsE11 light chain, Bovine Fab Else11 heavy chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
Descriptor: Bovine Fab ElsE7 heavy chain, Bovine Fab ElsE7 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024

238582

数据于2025-07-09公开中

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