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8JZQ
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BU of 8jzq by Molmil
Crystal structure of Panax quinquefolius Pq3-O-UGT2
Descriptor: Glycosyltransferase
Authors:Mei, K, Ji, Q, Liu, Y.
Deposit date:2023-07-06
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3-O-UGT2
Adv Sci, 2025
8K08
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BU of 8k08 by Molmil
Pq3-O-UGT2 with 20(S)-Ginsenoside Rh2
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-4,4,8,10,14-pentamethyl-17-[(2~{S})-6-methyl-2-oxidanyl-hept-5-en-2-yl]-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, Glycosyltransferase
Authors:Ji, Q.S, Liu, Y.R, Mei, K.R.
Deposit date:2023-07-07
Release date:2025-01-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3-O-UGT2
Adv Sci, 2025
8K09
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BU of 8k09 by Molmil
Pq3-O-UGT2 with 20(S)-Ginsenoside F2
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol, Glycosyltransferase
Authors:Mei, K.R, Ji, Q.S, Liu, Y.R.
Deposit date:2023-07-07
Release date:2025-01-29
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structural Insights into the Substrate Recognition of Ginsenoside Glycosyltransferase Pq3-O-UGT2
Adv Sci, 2025
8K4T
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BU of 8k4t by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS G12C peptide (VVVGACGVGK)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Xu, Y.
Deposit date:2023-07-20
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HLA-A*11:01 in complex with KRAS G12C peptide (VVVGACGVGK)
To Be Published
8K4V
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BU of 8k4v by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Xu, Y.
Deposit date:2023-07-20
Release date:2025-01-29
Method:X-RAY DIFFRACTION (3.095 Å)
Cite:Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK)
To Be Published
8K50
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BU of 8k50 by Molmil
Crystal structure of HLA-A*11:01 in complex with KRAS G12V peptide (VVVGARGVGK)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Xu, K.
Deposit date:2023-07-20
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of HLA-A*11:01 in complex with KRAS G12R peptide (VVVGARGVGK)
To Be Published
8K6F
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BU of 8k6f by Molmil
LnaB-Actin-PRUb ternary complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin gamma 1, Legionella effector LnaB, ...
Authors:Chen, T.T, Ouyang, S.Y.
Deposit date:2023-07-25
Release date:2025-01-29
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Complex structure of Legionella effector LnaB with host Actin and PR-Ub
To Be Published
8K6I
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BU of 8k6i by Molmil
LnaB-Actin-PRUb ternary complex
Descriptor: Actin gamma 1, Legionella effector LnaB, PHOSPHATE ION, ...
Authors:Chen, T.T, Ouyang, S.Y.
Deposit date:2023-07-25
Release date:2025-01-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Complex structure of Legionella effector LnaB with host Actin and PR-Ub
To Be Published
8K6R
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BU of 8k6r by Molmil
LnaB-Actin-PRUb ternary complex in the presence of AMPPNP
Descriptor: Actin gamma 1, LnaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, T.T, Ouyang, S.Y.
Deposit date:2023-07-25
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Complex structure of Legionella effector LnaB with host Actin and PR-Ub
To Be Published
8K6V
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BU of 8k6v by Molmil
LnaB-Actin-PRUb ternary complex
Descriptor: Actin gamma 1, LnaB, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Chen, T.T, Ouyang, S.Y.
Deposit date:2023-07-25
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Complex structure of Legionella effector LnaB with host Actin and ADPR-Ub
To Be Published
8K7W
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BU of 8k7w by Molmil
Crystal structure of Broccoli aptamer with DFHBI-1T
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, POTASSIUM ION, RNA (49-MER), ...
Authors:Peng, X, Huang, L.
Deposit date:2023-07-27
Release date:2025-01-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural analysis of various Broccoli aptamers with different Fluorophores
To Be Published
8KI9
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BU of 8ki9 by Molmil
Structure of Tomato spotted wilt virus L protein contained CTD
Descriptor: L protein
Authors:Cao, L, Wang, L.
Deposit date:2023-08-23
Release date:2025-01-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of Tomato spotted wilt virus L protein contained CTD
To Be Published
8PQM
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BU of 8pqm by Molmil
The DNA-binding domain of L-lactate utilization repressor (LutR-DBD) from Bacillus subtilis
Descriptor: FadR family transcriptional regulator, SODIUM ION
Authors:Soltysova, M.
Deposit date:2023-07-11
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of the DNA-binding domain of L-lactate transcriptional repressor (LutR-DBD) from Bacillus subtilis
To Be Published
8RHM
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BU of 8rhm by Molmil
Solution structure of sulfazecin NRPS holo-PCP domain 3
Descriptor: Non-ribosomal peptide synthetase, putative
Authors:Chagot, B.
Deposit date:2023-12-15
Release date:2025-01-29
Method:SOLUTION NMR
Cite:Solution structure of sulfazecin NRPS holo-PCP domain 3
To Be Published
8RI1
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BU of 8ri1 by Molmil
BmrA E504-100uMATPMg
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding/permease protein BmrA
Authors:Gobet, A, Zarkadas, E, Schoehn, G, Falson, P, Chaptal, V.
Deposit date:2023-12-18
Release date:2025-01-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:BmrA E504-100uMATPMg
To Be Published
8RIB
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BU of 8rib by Molmil
N-terminal domain of Trypanosoma brucei PEX14 in complex with a pyrazolo-pyrazolo[4,3-c]pyridin-3-yl compound showing a novel binding pose
Descriptor: 1,2-ETHANEDIOL, 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Napolitano, V, Janna Olmos, J, Popowicz, G.M, Dubin, G.
Deposit date:2023-12-18
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.126 Å)
Cite:Quantum Chemistry in a Pocket
To Be Published
8RMA
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BU of 8rma by Molmil
Structure of CTX-M-15 complexed with benzoxaborole AK-431
Descriptor: 2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid, Beta-lactamase, CHLORIDE ION, ...
Authors:Beer, M, Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2024-01-05
Release date:2025-01-29
Method:X-RAY DIFFRACTION (0.83 Å)
Cite:Structure of CTX-M-15 complexed with benzoxaborole AK-431
To Be Published
8RMT
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BU of 8rmt by Molmil
Galectin-3 with a bound inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclohexyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION
Authors:Mac Sweeney, A, Sager, C.
Deposit date:2024-01-08
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of galactopyranose-1-carboxamides as a new class of small, novel, potent, selective, and orally efficacious galectin-3 inhibitors
To Be Published
8RMU
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BU of 8rmu by Molmil
Galectin-3 with a bound inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION
Authors:Mac Sweeney, A, Sager, C.
Deposit date:2024-01-08
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Discovery of galactopyranose-1-carboxamides as a new class of small, novel, potent, selective, and orally efficacious galectin-3 inhibitors
To Be Published
8RMV
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BU of 8rmv by Molmil
Galectin-3 with a bound inhibitor
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclobutyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide, Galectin-3, THIOCYANATE ION
Authors:Mac Sweeney, A, Sager, C.
Deposit date:2024-01-08
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Discovery of galactopyranose-1-carboxamides as a new class of small, novel, potent, selective, and orally efficacious galectin-3 inhibitors
To Be Published
8RMZ
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BU of 8rmz by Molmil
Apoform of spermine/spermidine acetyl transferase (AtSSAT) from A. thaliana
Descriptor: 1,2-ETHANEDIOL, GCN5-related N-acetyltransferase 8, SULFATE ION
Authors:Morera, S, Briozzo, P.
Deposit date:2024-01-09
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Not defined yet, more later
To Be Published
8RNS
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BU of 8rns by Molmil
Human Carbonic Anhydrase XII mimic in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[(4 sulfamoylphenyl)methyl]methanimidamide
Descriptor: 1-carbamimidoyl-3-[(4-sulfamoylphenyl)methyl]guanidine, Carbonic anhydrase 2, ZINC ION
Authors:Baroni, C, Ferraroni, M.
Deposit date:2024-01-10
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Human Carbonic Anhydrase XII mimic in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[(4 sulfamoylphenyl)methyl]methanimidamide
To Be Published
8RNZ
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BU of 8rnz by Molmil
Metal-binding domain 3 of copper-transporting ATPase RAN1 from Arabidopsis thaliana
Descriptor: Copper-transporting ATPase RAN1
Authors:Minges, A, Dluhosch, D, Groth, G.
Deposit date:2024-01-11
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Exploring the Role of Individual Metal Binding Domains (MBDs) in Soluble and Membrane-bound Copper Chaperones for Metal Transport and Delivery to the ETR1 Ethylene Receptor in Arabidopsis thaliana
To Be Published
8ROQ
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BU of 8roq by Molmil
FAdV-C4 Aviadenovirus structure, strain KR5
Descriptor: Hexon protein, PIIIa, Penton protein, ...
Authors:Perez-Illana, M.P, Schachnner, A, Condezo, G.N, Hernando-Perez, M, Martinez, M, Marabini, R, Hess, M, San Martin, C.
Deposit date:2024-01-12
Release date:2025-01-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:FAdV-C4 AG234 Aviadenovirus structure, strain KR5
To Be Published
8ROS
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BU of 8ros by Molmil
human pyridoxine 5-phosphate oxidase in complex with Z isomer of pyridoxilidenrhodanine 5-phosphate
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Pyridoxine-5'-phosphate oxidase, ...
Authors:Ilari, A, Fiorillo, A, Antonelli, L.
Deposit date:2024-01-12
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:Pyridoxine 5-phosphate oxidase in complex with pyridoxilidenrhodanine 5-phosphate
To Be Published

230744

数据于2025-01-29公开中

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