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7OWZ
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BU of 7owz by Molmil
Heterodimeric murine tRNA-guanine transglycosylase in complex with queuine and in the presence of Anderson-Evans type (TEW) and Strandberg type polyoxometalate (POM)
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 6-tungstotellurate(VI), Queuine tRNA-ribosyltransferase accessory subunit 2, ...
Authors:Sebastiani, M, Heine, A, Reuter, K.
Deposit date:2021-06-21
Release date:2022-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase.
Acs Chem.Biol., 17, 2022
1ZU0
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BU of 1zu0 by Molmil
Crystal Structure of the liganded Chitin Oligasaccharide Binding Protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin Oligosaccharide Binding Protein, MANGANESE (II) ION
Authors:Xu, S, Li, X, Roseman, R, Stock, A.M.
Deposit date:2005-05-28
Release date:2006-06-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the liganded and unliganded periplasmic chitin oligosaccharide binding protein
To be Published
1F2W
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BU of 1f2w by Molmil
THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ...
Authors:Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S.
Deposit date:2000-05-30
Release date:2000-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
2Z7S
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BU of 2z7s by Molmil
Crystal Structure of the N-terminal Kinase Domain of Human RSK1 bound to Purvalnol A
Descriptor: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Ribosomal protein S6 kinase alpha-1
Authors:Ikuta, M, Munshi, S.K.
Deposit date:2007-08-28
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors.
Protein Sci., 16, 2007
6WGM
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BU of 6wgm by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A.
Deposit date:2020-04-05
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
8H6H
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BU of 8h6h by Molmil
cryo-EM structure of cellodextrin phosphorylase from Clostridium thermocellum
Descriptor: CHLORIDE ION, Cellodextrin phosphorylase
Authors:Kuga, T, Sunagawa, N, Igarashi, K.
Deposit date:2022-10-17
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:structure and dynamics of cellodextrin phosphorylase from Clostridium thermocellum determine chain length and crystalline packing of highly ordered cellulose II synthesized in vitro
To Be Published
8GKO
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BU of 8gko by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: 1,2-ETHANEDIOL, Alkaline protease 1, FORMYL GROUP, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-03-20
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
8GKQ
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BU of 8gkq by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: 1,2-ETHANEDIOL, Alkaline protease 1, CALCIUM ION, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-03-20
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
8GKP
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BU of 8gkp by Molmil
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Descriptor: Alkaline protease 1, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Fernandez, D, Diec, D.D.L, Guo, W, Russi, S.
Deposit date:2023-03-20
Release date:2023-11-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision.
Sci Rep, 13, 2023
6X2M
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BU of 6x2m by Molmil
Crystal Structure of unliganded CRM1-Ran-RanBP1
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M.
Deposit date:2020-05-20
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
5FOQ
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BU of 5foq by Molmil
Acetylcholinesterase in complex with C7653
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Berg, L, Mishra, B.K, Andersson, D.C, Ekstrom, F, Linusson, A.
Deposit date:2015-11-25
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Nature of Activated Non-Classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes.
Chemistry, 22, 2016
8VY3
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BU of 8vy3 by Molmil
Human DNA polymerase alpha/primase - AavLEA1 (1:40 molar ratio)
Descriptor: DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, DNA primase large subunit, ...
Authors:Abe, K.M, Li, G, Grant, T, Lim, C.J.
Deposit date:2024-02-06
Release date:2024-09-04
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Small LEA proteins mitigate air-water interface damage to fragile cryo-EM samples during plunge freezing.
Nat Commun, 15, 2024
5G1A
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BU of 5g1a by Molmil
Bordetella Alcaligenes HDAH bound to PFSAHA
Descriptor: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
6VJY
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BU of 6vjy by Molmil
Cryo-EM structure of Hrd1/Hrd3 monomer
Descriptor: ERAD-associated E3 ubiquitin-protein ligase HRD1, ERAD-associated E3 ubiquitin-protein ligase component HRD3
Authors:Wu, X, Rapoport, T.A.
Deposit date:2020-01-18
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis of ER-associated protein degradation mediated by the Hrd1 ubiquitin ligase complex.
Science, 368, 2020
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
2FEU
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BU of 2feu by Molmil
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I.
Deposit date:2005-12-16
Release date:2006-03-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The status of high-valent metal oxo complexes in the P450 cytochromes.
J.Inorg.Biochem., 100, 2006
8W39
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BU of 8w39 by Molmil
Vibrio vulnificus SmcR bound to the inhibitor PTSP
Descriptor: (3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine, SmcR
Authors:Paczkowski, J.E, Brockley, M.W, van Kessel, J.C.
Deposit date:2024-02-22
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ligand binding determines proteolytic stability of Vibrio LuxR/HapR quorum sensing transcription factors
To Be Published
8W8V
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BU of 8w8v by Molmil
High-resolution X-ray structure of cellulase Cel6A from Phanerochaete chrysosporium at cryogenic temperature, Enzyme-Product complex
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Glucanase, ...
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-09-04
Release date:2025-03-12
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published
8W4Y
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BU of 8w4y by Molmil
Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature, low-D2O-solvent
Descriptor: Glucanase
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-08-25
Release date:2025-03-12
Method:NEUTRON DIFFRACTION (1.4 Å), X-RAY DIFFRACTION
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published
8W4W
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BU of 8w4w by Molmil
Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature
Descriptor: Glucanase
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-08-25
Release date:2025-03-12
Method:NEUTRON DIFFRACTION (1.36 Å), X-RAY DIFFRACTION
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published
8W8U
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BU of 8w8u by Molmil
High-resolution X-ray structure of cellulase Cel6A from Phanerochaete chrysosporium at cryogenic temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Glucanase
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-09-04
Release date:2025-03-12
Method:X-RAY DIFFRACTION (0.8 Å)
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published
8W4X
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BU of 8w4x by Molmil
Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature, Enzyme-Product complex
Descriptor: Glucanase, SODIUM ION, beta-D-glucopyranose, ...
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-08-25
Release date:2025-03-12
Method:NEUTRON DIFFRACTION (1.4 Å), X-RAY DIFFRACTION
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published
8W4Z
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BU of 8w4z by Molmil
Neutron structure of cellulase Cel6A from Phanerochaete chrysosporium at room temperature, Enzyme-Product complex, H2O solvent
Descriptor: Glucanase, SODIUM ION, beta-D-glucopyranose, ...
Authors:Tachioka, M, Yamaguchi, S, Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Yano, N, Chatake, T, Tamada, T, Takeda, K, Niwa, S, Tanaka, H, Takahashi, S, Inaka, K, Furubayashi, N, Deguchi, S, Samejima, M, Igarashi, K.
Deposit date:2023-08-25
Release date:2025-03-12
Last modified:2025-04-30
Method:NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
Cite:Deprotonated Arginine Controls a Putative Catalytic Base in Invert-ing Family 6 Glycoside Hydrolase
To Be Published

238582

건을2025-07-09부터공개중

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