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7PPR
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BU of 7ppr by Molmil
The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
7PGQ
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BU of 7pgq by Molmil
GAP-SecPH region of human neurofibromin isoform 2 in closed conformation.
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Neurofibromin, ZINC ION
Authors:Naschberger, A, Baradaran, R, Carroni, M, Rupp, B.
Deposit date:2021-08-15
Release date:2022-10-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:The structure of neurofibromin isoform 2 reveals different functional states.
Nature, 599, 2021
8GF8
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BU of 8gf8 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids
Descriptor: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2023-03-07
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
Descriptor: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
Authors:Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2023-03-07
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
7P3U
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BU of 7p3u by Molmil
Chitin-active fungal AA11 LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, putative
Authors:Rohr, A.K, Stoepamo, F.G, Eijsink, V.G.H.
Deposit date:2021-07-08
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs.
J.Biol.Chem., 297, 2021
5BU9
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BU of 5bu9 by Molmil
Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333
Descriptor: Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Chang, C, Tan, K, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-06-03
Release date:2015-06-17
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Crystal structure of Beta-N-acetylhexosaminidase from Beutenbergia cavernae DSM 12333
To Be Published
1UKR
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BU of 1ukr by Molmil
STRUCTURE OF ENDO-1,4-BETA-XYLANASE C
Descriptor: ENDO-1,4-B-XYLANASE I
Authors:Krengel, U, Dijkstra, B.W.
Deposit date:1996-08-23
Release date:1997-12-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structure of Endo-1,4-beta-xylanase I from Aspergillus niger: molecular basis for its low pH optimum.
J.Mol.Biol., 263, 1996
5E96
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BU of 5e96 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase type Ii
Descriptor: 1,2-ETHANEDIOL, Aminoglycoside 6'-acetyltransferase, PHOSPHATE ION
Authors:Berghuis, A.M, Burk, D.L, Baettig, O.M, Shi, K.
Deposit date:2015-10-14
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comprehensive characterization of ligand-induced plasticity changes in a dimeric enzyme.
Febs J., 283, 2016
8EZV
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BU of 8ezv by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8EZZ
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BU of 8ezz by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F2D
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BU of 8f2d by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-07
Release date:2023-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F02
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BU of 8f02 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-01
Release date:2023-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
8F2C
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BU of 8f2c by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a
Descriptor: (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-11-07
Release date:2023-10-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
5FLZ
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BU of 5flz by Molmil
Cryo-EM structure of gamma-TuSC oligomers in a closed conformation
Descriptor: SPINDLE POLE BODY COMPONENT 110, SPINDLE POLE BODY COMPONENT SPC97, SPINDLE POLE BODY COMPONENT SPC98, ...
Authors:Greenberg, C.H, Kollman, J, Zelter, A, Johnson, R, MacCoss, M.J, Davis, T.N, Agard, D.A, Sali, A.
Deposit date:2015-10-29
Release date:2016-01-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Structure of Gamma-Tubulin Small Complex Based on a Cryo-Em Map, Chemical Cross-Links, and a Remotely Related Structure.
J.Struct.Biol., 194, 2016
8U1C
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BU of 8u1c by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-08-31
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
Authors:Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
Deposit date:2023-09-02
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-09-01
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
6N8I
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BU of 6n8i by Molmil
RNA Duplex containing the internal loop 5'-UUCG/3'-GCUU
Descriptor: RNA (5'-R(*CP*GP*CP*AP*UP*UP*CP*GP*AP*CP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*UP*UP*UP*CP*GP*UP*GP*CP*G)-3')
Authors:Berger, K.D, Kennedy, S.D, Turner, D.H.
Deposit date:2018-11-29
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures.
Biochemistry, 58, 2019
6N8H
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BU of 6n8h by Molmil
RNA Duplex containing the internal loop 5'-GCAU/3'-UACG
Descriptor: RNA (5'-R(*CP*GP*GP*GP*CP*AP*UP*CP*CP*G)-3')
Authors:Berger, K.D, Kennedy, S.D, Turner, D.H.
Deposit date:2018-11-29
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures.
Biochemistry, 58, 2019
5G4M
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BU of 5g4m by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083
Descriptor: 1,2-ETHANEDIOL, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ...
Authors:Joerger, A.C, Bauer, M.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
6PU1
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BU of 6pu1 by Molmil
Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
Descriptor: CHLORIDE ION, Gag polyprotein, IODIDE ION, ...
Authors:Lindenberger, J.J, Kvaratskhelia, M.
Deposit date:2019-07-16
Release date:2021-01-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Cysteine stabilized hexameric HIV-1 CA in complex with SEC24C peptide
To Be Published
6N8F
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BU of 6n8f by Molmil
RNA Duplex containing the internal loop 5'-GCUU/3'-UUCG
Descriptor: RNA (5'-R(*CP*GP*CP*AP*GP*CP*UP*UP*AP*CP*GP*C)-3'), RNA (5'-R(*GP*CP*GP*UP*GP*CP*UP*UP*UP*GP*CP*G)-3')
Authors:Berger, K.D, Kennedy, S.D, Turner, D.H.
Deposit date:2018-11-29
Release date:2019-02-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Reveals That GU Base Pairs Flanking Internal Loops Can Adopt Diverse Structures.
Biochemistry, 58, 2019
5EFR
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BU of 5efr by Molmil
Crystal Structure of a BamA-BamD fusion
Descriptor: BamA-BamD fusion Protein
Authors:Bergal, H.T, Hopkins, A.H, Metzner, S.I, Sousa, M.C.
Deposit date:2015-10-24
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of a BamA-BamD Fusion Illuminates the Architecture of the beta-Barrel Assembly Machine Core.
Structure, 24, 2016
6TAM
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BU of 6tam by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Friberg, A, Nguyen, D.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
5G4N
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BU of 5g4n by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a difluorinated derivative of the small molecule stabilizer Phikan083
Descriptor: 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, GLYCEROL, ...
Authors:Joerger, A.C, Bauer, M, Jones, R.N, Spencer, J.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016

222415

数据于2024-07-10公开中

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