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7Q5I
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BU of 7q5i by Molmil
A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.
Descriptor: 2-cyano-3-[4-(dimethylamino)phenyl]-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]propanamide, BETA-MERCAPTOETHANOL, CARBONATE ION, ...
Authors:Neofytos, D.D, Chrysina, E.D.
Deposit date:2021-11-03
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A glucose-based molecular rotor inhibitor of glycogen phosphorylase as a probe of cellular enzymatic function.
Org.Biomol.Chem., 20, 2022
8HZL
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BU of 8hzl by Molmil
A new fluorescent RNA aptamer_III bound with N
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, MAGNESIUM ION, RNA (84-MER)
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
6YAK
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BU of 6yak by Molmil
Split gene transketolase, active alpha2beta2 heterotetramer
Descriptor: (2S)-2-hydroxybutanedioic acid, 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, C-terminal component of the split chain transketolase, ...
Authors:Isupov, M.N, Littlechild, J.A, James, P.
Deposit date:2020-03-12
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
6VLK
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BU of 6vlk by Molmil
A varicella-zoster virus glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, ...
Authors:Xing, Y.
Deposit date:2020-01-24
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4529 Å)
Cite:A glycoprotein B-neutralizing antibody structure at 2.8 angstrom uncovers a critical domain for herpesvirus fusion initiation.
Nat Commun, 11, 2020
6QPF
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BU of 6qpf by Molmil
Influenza A virus Polymerase Heterotrimer A/duck/Fujian/01/2002(H5N1)
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Fan, H.T, Keown, J.R, Fodor, E, Grimes, J.M.
Deposit date:2019-02-13
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.634 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
6YAJ
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BU of 6yaj by Molmil
Split gene transketolase, inactive beta4 tetramer
Descriptor: 1,2-ETHANEDIOL, C-terminal chain of split transketolase from Carboxydothermus hydrogenoformans, DI(HYDROXYETHYL)ETHER, ...
Authors:Isupov, M.N, Littlechild, J.A, James, P.
Deposit date:2020-03-12
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization.
Front Microbiol, 11, 2020
6OJC
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BU of 6ojc by Molmil
A high-resolution crystal structure of NocB thioesterase domain from Nocardicin cluster
Descriptor: GLYCEROL, NocB, SULFATE ION
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
6OJD
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BU of 6ojd by Molmil
A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
Descriptor: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
8HZD
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BU of 8hzd by Molmil
A new fluorescent RNA aptamer bound with N618
Descriptor: 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile, MAGNESIUM ION, RNA (36-MER)
Authors:Song, Q.Q, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
8HZJ
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BU of 8hzj by Molmil
A new fluorescent RNA aptamer bound with N571
Descriptor: (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
8HZE
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BU of 8hze by Molmil
A new fluorescent RNA aptamer bound with N
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
8HZM
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BU of 8hzm by Molmil
A new fluorescent RNA aptamer bound with N, manganese soak
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
8HZF
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BU of 8hzf by Molmil
A new fluorescent RNA aptamer bound with N565
Descriptor: (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
8HZK
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BU of 8hzk by Molmil
A new fluorescent RNA aptamer bound with N, iridium hexammine soak
Descriptor: (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one, DI(HYDROXYETHYL)ETHER, IRIDIUM HEXAMMINE ION, ...
Authors:Huang, K.Y, Ren, A.M.
Deposit date:2023-01-09
Release date:2024-06-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a small monomeric Clivia fluorogenic RNA with a large Stokes shift.
Nat.Chem.Biol., 2024
5JW4
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BU of 5jw4 by Molmil
Structure of MEDI8852 Fab Fragment in Complex with H5 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
Deposit date:2016-05-11
Release date:2016-08-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
6VN1
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BU of 6vn1 by Molmil
A 2.8 Angstrom Cryo-EM Structure of a Glycoprotein B-Neutralizing Antibody Complex Reveals a Critical Domain for Herpesvirus Fusion Initiation
Descriptor: Envelope glycoprotein B, Human monoclonal antibody 93k variable heavy chain, Human monoclonal antibody 93k variable light chain
Authors:Oliver, S.L.
Deposit date:2020-01-29
Release date:2020-07-15
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A glycoprotein B-neutralizing antibody structure at 2.8 angstrom uncovers a critical domain for herpesvirus fusion initiation.
Nat Commun, 11, 2020
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
6WY9
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BU of 6wy9 by Molmil
Tcur3481-Tcur3483 steroid ACAD G363A variant
Descriptor: Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, CHLORIDE ION, ...
Authors:Kimber, M.S, Stirling, A.J, Seah, S.Y.K.
Deposit date:2020-05-12
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
6WY8
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BU of 6wy8 by Molmil
Tcur3481-Tcur3483 steroid ACAD
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acyl-CoA dehydrogenase domain protein Tcur3481, Acyl-CoA dehydrogenase domain protein Tcur3483, ...
Authors:Kimber, M.S, Stirling, A.J, Seah, S.Y.K.
Deposit date:2020-05-12
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Key Glycine in Bacterial Steroid-Degrading Acyl-CoA Dehydrogenases Allows Flavin-Ring Repositioning and Modulates Substrate Side Chain Specificity.
Biochemistry, 59, 2020
5NPP
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BU of 5npp by Molmil
2.22A STRUCTURE OF THIOPHENE2 AND GSK945237 WITH S.AUREUS DNA GYRASE AND DNA
Descriptor: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DIMETHYL SULFOXIDE, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ...
Authors:Bax, B.D, Chan, P.F, Stavenger, R.A.
Deposit date:2017-04-18
Release date:2017-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
8JHU
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BU of 8jhu by Molmil
Legionella effector protein SidI
Descriptor: Legionella pneumophila effector protein SidI
Authors:Wang, L, Subramanian, A, Mukherjee, S, Walter, P.
Deposit date:2023-05-25
Release date:2023-08-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A Legionella toxin exhibits tRNA mimicry and glycosyl transferase activity to target the translation machinery and trigger a ribotoxic stress response.
Nat.Cell Biol., 25, 2023
6PNR
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BU of 6pnr by Molmil
A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
Descriptor: Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid
Authors:Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D.
Deposit date:2019-07-03
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
6VPB
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BU of 6vpb by Molmil
A novel membrane-bound 6-phosphogluconate dehydrogenase from the acetic acid bacteria Gluconacetobacter diazotrophicus (Gd6PGD)
Descriptor: 6-phosphogluconate dehydrogenase, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ...
Authors:Rodriguez-Romero, A, Rodriguez-Hernandez, A.
Deposit date:2020-02-02
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The structure of a novel membrane-associated 6-phosphogluconate dehydrogenase from Gluconacetobacter diazotrophicus (Gd6PGD) reveals a subfamily of short-chain 6PGDs.
Febs J., 288, 2021

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數據於2024-07-17公開中

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