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8Y55
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BU of 8y55 by Molmil
Crystal Structure of NAMPT-PF403
Descriptor: (13~{a}~{S})-6,7-dimethoxy-9,11,12,13,13~{a},14-hexahydrophenanthro[9,10-f]indolizin-3-ol, DI(HYDROXYETHYL)ETHER, Nicotinamide phosphoribosyltransferase
Authors:Yu, S.S, Liu, Y.B, Li, Y.
Deposit date:2024-01-31
Release date:2025-02-19
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Thermal proteome profiling (TPP) reveals NAMPT as the anti-glioma target of phenanthroindolizidine alkaloid PF403.
Acta Pharm Sin B, 15, 2025
6H3H
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BU of 6h3h by Molmil
Fab fragment of antibody against fullerene C60
Descriptor: Anti-fullerene antibody Fab fragment Heavy chain, Anti-fullerene antibody Fab fragment Light chain, GLYCEROL, ...
Authors:Osipov, E.M, Tikhonova, T.V.
Deposit date:2018-07-18
Release date:2019-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of the Anti-C60 Fullerene Antibody Fab Fragment: Structural Determinants of Fullerene Binding.
Acta Naturae, 11, 2019
2W3M
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BU of 2w3m by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
Deposit date:2008-11-13
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
5J7I
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BU of 5j7i by Molmil
Crystal structure of a Geobacillus thermoglucosidasius Acetylating Aldehyde Dehydrogenase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5-DIPHOSPHORIBOSE, Acetaldehyde dehydrogenase (Acetylating)
Authors:Crennell, S.J, Extance, J.P, Danson, M.J.
Deposit date:2016-04-06
Release date:2016-09-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
6TOR
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BU of 6tor by Molmil
human O-phosphoethanolamine phospho-lyase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Ethanolamine-phosphate phospho-lyase, GLYCEROL
Authors:Vettraino, C, Donini, S, Parisini, E.
Deposit date:2019-12-11
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of human O-phosphoethanolamine phospho-lyase.
Acta Crystallogr.,Sect.F, 76, 2020
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
6TQQ
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BU of 6tqq by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
Descriptor: 16L protein, Bcl-2-like protein 11, SODIUM ION
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2019-12-17
Release date:2020-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.0017972 Å)
Cite:Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6TQP
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BU of 6tqp by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
Descriptor: 16L protein, Bcl-2-binding component 3, isoforms 1/2, ...
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2019-12-17
Release date:2020-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84940946 Å)
Cite:Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6TRR
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BU of 6trr by Molmil
Structural insight into tanapoxvirus mediated inhibition of apoptosis
Descriptor: 16L protein, Apoptosis regulator BAX, SODIUM ION
Authors:Suraweera, C.D, Hinds, M.G, Kvansakul, M.
Deposit date:2019-12-19
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12007356 Å)
Cite:Structural insight into tanapoxvirus-mediated inhibition of apoptosis.
Febs J., 287, 2020
6T76
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BU of 6t76 by Molmil
PII-like protein CutA from Nostoc sp. PCC 7120 in apo form
Descriptor: Periplasmic divalent cation tolerance protein, SULFATE ION
Authors:Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D.
Deposit date:2019-10-21
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
6T7E
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BU of 6t7e by Molmil
PII-like protein CutA from Nostoc sp. PCC7120 in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Periplasmic divalent cation tolerance protein
Authors:Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D.
Deposit date:2019-10-21
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
7E3U
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BU of 7e3u by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU
Descriptor: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S.
Deposit date:2021-02-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
7E50
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BU of 7e50 by Molmil
Crystal structure of human microplasmin in complex with kazal-type inhibitor AaTI
Descriptor: AAEL006007-PA, GLYCEROL, Plasminogen, ...
Authors:Varsha, A.W, Jobichen, C, Mok, Y.K.
Deposit date:2021-02-16
Release date:2022-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of Aedes aegypti trypsin inhibitor in complex with mu-plasmin reveals role for scaffold stability in Kazal-type serine protease inhibitor.
Protein Sci., 31, 2022
6UE0
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BU of 6ue0 by Molmil
Crystal structure of dihydrodipicolinate synthase from Klebsiella pneumoniae bound to pyruvate
Descriptor: 4-hydroxy-tetrahydrodipicolinate synthase, CHLORIDE ION, SULFATE ION
Authors:Impey, R.E, Lee, M, Hawkins, D.A, Sutton, J.M, Panjikar, S, Perugini, M.A, Soares da Costa, T.P.
Deposit date:2019-09-20
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Mis-annotations of a promising antibiotic target in high-priority gram-negative pathogens.
Febs Lett., 594, 2020
6EX7
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BU of 6ex7 by Molmil
Crystal structure of NDM-1 metallo-beta-lactamase in complex with Cd ions and a hydrolyzed beta-lactam ligand - new refinement
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, CADMIUM ION, ...
Authors:Kim, Y, Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, Tesar, C, Jedrzejczak, R, Babnigg, J, Mire, J, Sacchettini, J, Joachimiak, A.
Deposit date:2017-11-07
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7F2N
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BU of 7f2n by Molmil
Crystal structure of SSB from Klebsiella pneumonia.
Descriptor: Single-stranded DNA-binding protein
Authors:Lin, E.S, Huang, Y.H, Huang, C.Y.
Deposit date:2021-06-11
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Characterization of the Chimeric PriB-SSBc Protein.
Int J Mol Sci, 22, 2021
5KK3
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BU of 5kk3 by Molmil
Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
Descriptor: Beta-amyloid protein 42
Authors:Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
Deposit date:2016-06-20
Release date:2016-07-13
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016
7F25
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BU of 7f25 by Molmil
Crystal structure of SSB from Salmonella enterica serovar Typhimurium LT2.
Descriptor: Single-stranded DNA-binding protein 1
Authors:Luo, R.H, Huang, Y.H, Huang, C.Y.
Deposit date:2021-06-10
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Crystal Structure of an SSB Protein from Salmonella enterica and Its Inhibition by Flavanonol Taxifolin.
Int J Mol Sci, 23, 2022
5JO9
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BU of 5jo9 by Molmil
Structural characterization of the thermostable Bradyrhizobium japonicum d-sorbitol dehydrogenase
Descriptor: PHOSPHATE ION, Ribitol 2-dehydrogenase, sorbitol
Authors:Fredslund, F, Otten, H, Navarro Poulsen, J.-C, Lo Leggio, L.
Deposit date:2016-05-02
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Structural characterization of the thermostable Bradyrhizobium japonicumD-sorbitol dehydrogenase.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6ISD
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BU of 6isd by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione
Descriptor: 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, W.C, Yang, G.F.
Deposit date:2018-11-16
Release date:2018-11-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
6GKG
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BU of 6gkg by Molmil
Structure of 14-3-3 gamma in complex with caspase-2 14-3-3 binding motif Ser164
Descriptor: 14-3-3 protein gamma, Caspase-2
Authors:Alblova, M, Obsil, T, Obsilova, V.
Deposit date:2018-05-20
Release date:2018-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.847 Å)
Cite:14-3-3 protein masks the nuclear localization sequence of caspase-2.
FEBS J., 285, 2018
5J78
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BU of 5j78 by Molmil
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
Descriptor: ACETATE ION, Acetaldehyde dehydrogenase (Acetylating), GLYCEROL, ...
Authors:Crennell, S.J, Extance, J.P, Danson, M.J.
Deposit date:2016-04-06
Release date:2016-09-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of an acetylating aldehyde dehydrogenase from the thermophilic ethanologen Geobacillus thermoglucosidasius.
Protein Sci., 25, 2016
7R0K
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BU of 7r0k by Molmil
Crystal structure of Polymerase I from phage G20c
Descriptor: DNA polymerase I
Authors:Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J.
Deposit date:2022-02-02
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.972 Å)
Cite:Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
6UX5
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BU of 6ux5 by Molmil
Structure of acrorhagin I from the sea anemone Actinia equina
Descriptor: U-actitoxin-Aeq5a
Authors:Krishnarjuna, B, Sunanda, P, Norton, R.S.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:A disulfide-stabilised helical hairpin fold in acrorhagin I: An emerging structural motif in peptide toxins.
J.Struct.Biol., 213, 2020

242842

数据于2025-10-08公开中

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