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8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Descriptor: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, H.-Y, Yang, G.-F.
Deposit date:2022-11-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023
8HI9
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BU of 8hi9 by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin
Descriptor: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5
Authors:Su, H.X, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2022-11-19
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
Descriptor: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Zhang, X, Wu, W.P, Xu, X.
Deposit date:2022-11-18
Release date:2023-05-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HHZ
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BU of 8hhz by Molmil
SARS-CoV-2 Omicron BA.1 Spike in complex with IY-2A
Descriptor: IY-2A Fab heavy chain, IY-2A Fab light chain, Spike glycoprotein
Authors:Chen, X, Mohapatra, A, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (4.28 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
8HHY
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BU of 8hhy by Molmil
SARS-CoV-2 Delta Spike in complex with IS-9A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, ...
Authors:Mohapatra, A, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
8HHX
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BU of 8hhx by Molmil
SARS-CoV-2 Delta Spike in complex with FP-12A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, ...
Authors:Chen, X, Wu, Y.-M.
Deposit date:2022-11-17
Release date:2023-02-01
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
8HHV
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BU of 8hhv by Molmil
endo-alpha-D-arabinanase EndoMA1 from Microbacterium arabinogalactanolyticum
Descriptor: CALCIUM ION, GLYCEROL, SODIUM ION, ...
Authors:Nakashima, C, Li, J, Arakawa, T, Yamada, C, Ishiwata, A, Fujita, K, Fushinobu, S.
Deposit date:2022-11-17
Release date:2023-08-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and characterization of endo-alpha-, exo-alpha-, and exo-beta-D-arabinofuranosidases degrading lipoarabinomannan and arabinogalactan of mycobacteria.
Nat Commun, 14, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHQ
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BU of 8hhq by Molmil
Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Descriptor: GLYCOLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHP
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BU of 8hhp by Molmil
Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, 5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Kojima, H, Itoh, T.
Deposit date:2022-11-16
Release date:2023-11-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Covalent Modifier Discovery Using Hydrogen/Deuterium Exchange-Mass Spectrometry.
J.Med.Chem., 66, 2023
8HHO
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BU of 8hho by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HHM
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BU of 8hhm by Molmil
Cryo-EM structure of the Cas12m2-crRNA-target DNA ternary complex intermediate state
Descriptor: Cas12m2, DNA (36-MER), MAGNESIUM ION, ...
Authors:Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O.
Deposit date:2022-11-16
Release date:2023-04-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
8HHL
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BU of 8hhl by Molmil
Cryo-EM structure of the Cas12m2-crRNA-target DNA full R-loop complex
Descriptor: Cas12m2, MAGNESIUM ION, NTS (36-MER), ...
Authors:Omura, N.S, Nakagawa, R, Wu, Y.W, Sudfeld, C, Warren, V.R, Hirano, H, Kusakizako, T, Kise, Y, Lebbink, H.G.J, Itoh, Y, Oost, V.D.J, Nureki, O.
Deposit date:2022-11-16
Release date:2023-04-12
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Mechanistic and evolutionary insights into a type V-M CRISPR-Cas effector enzyme.
Nat.Struct.Mol.Biol., 30, 2023
8HHC
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BU of 8hhc by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,post-hyd',lowATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ATP synthase subunit alpha, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HHB
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BU of 8hhb by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,step waiting,lowATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HHA
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BU of 8hha by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,120 degrees,lowATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH9
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BU of 8hh9 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3, 90 degrees, low ATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH8
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BU of 8hh8 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,post-hyd,lowATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH7
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BU of 8hh7 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3, 81 degrees, lowATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH6
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BU of 8hh6 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,step waiting,highATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH5
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BU of 8hh5 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,120 degrees,highATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH4
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BU of 8hh4 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,101 degrees, highATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH3
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BU of 8hh3 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,90 degrees,highATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published
8HH2
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BU of 8hh2 by Molmil
F1 domain of FoF1-ATPase from Bacillus PS3,post-hyd,highATP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
Authors:Nakano, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-11-16
Release date:2023-07-19
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Rotation mechanism of ATP synthases driven by ATP hydrolysis
To Be Published

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