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7DV0
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BU of 7dv0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
4U5D
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BU of 4u5d by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5757 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U5G
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BU of 4u5g by Molmil
Crystal structure of con-ikot-ikot toxin
Descriptor: Con-ikot-ikot, ZINC ION
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1997 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U5H
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BU of 4u5h by Molmil
crystal structure of con-ikot-ikot toxin
Descriptor: Con-ikot-ikot
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
7DUX
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BU of 7dux by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DV1
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BU of 7dv1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
4U5Z
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BU of 4u5z by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1
Descriptor: Structural protein VP1
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-07-26
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Plos Pathog., 11, 2015
7DUZ
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BU of 7duz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-12
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
2HS1
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BU of 2hs1 by Molmil
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Weber, I.T, Kovalevsky, A.Y.
Deposit date:2006-07-20
Release date:2006-10-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
J.Mol.Biol., 363, 2006
4TUO
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BU of 4tuo by Molmil
Crystal structure of monoclonal antibody against neuroblastoma associated antigen.
Descriptor: Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G.
Deposit date:2014-06-24
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody.
Mol.Cell Proteomics, 14, 2015
7DU1
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BU of 7du1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2021-01-07
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DUE
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BU of 7due by Molmil
Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid
Descriptor: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Authors:Judge, R.A, Salem, A.H.
Deposit date:2021-01-21
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
7DUB
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BU of 7dub by Molmil
Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid
Descriptor: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
Authors:Li, G.-B, Yan, Y.-H.
Deposit date:2021-01-08
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
4U5B
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BU of 4u5b by Molmil
Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5037 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
1YR2
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BU of 1yr2 by Molmil
Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity
Descriptor: GLYCEROL, prolyl oligopeptidase
Authors:Shan, L, Mathews, I.I, Khosla, C.
Deposit date:2005-02-02
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Interdomain Dynamics in Catalysis and Specificity
Proc.Natl.Acad.Sci.USA, 102, 2005
4U5F
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BU of 4u5f by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-24
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U60
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BU of 4u60 by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with GM1 oligosaccharide
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-07-26
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Plos Pathog., 11, 2015
6DI1
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BU of 6di1 by Molmil
CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND
Descriptor: 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK
Authors:Jiang, X.
Deposit date:2018-05-22
Release date:2018-10-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Bioorg. Med. Chem. Lett., 28, 2018
4MWR
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BU of 4mwr by Molmil
Anhui N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
4U5C
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BU of 4u5c by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist FW and postitive modulator (R,R)-2b complex
Descriptor: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.6883 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U5E
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BU of 4u5e by Molmil
Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5073 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
6DAR
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BU of 6dar by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Descriptor: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-05-01
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
2Z33
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BU of 2z33 by Molmil
Solution structure of the DNA complex of PhoB DNA-binding/transactivation Domain
Descriptor: 5'-D(*AP*CP*AP*GP*AP*TP*TP*TP*AP*TP*GP*AP*CP*AP*GP*T)-3', 5'-D(*AP*CP*TP*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*TP*GP*T)-3', Phosphate regulon transcriptional regulatory protein phoB
Authors:Yamane, T, Okamura, H, Ikeguchi, M, Nishimura, Y, Kidera, A.
Deposit date:2007-05-31
Release date:2008-04-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Water-mediated interactions between DNA and PhoB DNA-binding/transactivation domain: NMR-restrained molecular dynamics in explicit water environment.
Proteins, 71, 2008
4U9E
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BU of 4u9e by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3
Descriptor: CALCIUM ION, HEME C, Soluble cytochrome b562, ...
Authors:Tezcan, F.A, Song, W.J.
Deposit date:2014-08-06
Release date:2015-01-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A designed supramolecular protein assembly with in vivo enzymatic activity
Science, 346, 2014

222624

數據於2024-07-17公開中

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