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8J0P
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BU of 8j0p by Molmil
Chitin binding SusD-like protein AqSusD from a marine Bacteroidetes
Descriptor: Chitin binding SusD-like protein
Authors:Yang, J.
Deposit date:2023-04-11
Release date:2023-11-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition.
Febs J., 291, 2024
8TXS
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BU of 8txs by Molmil
Solution NMR structure of designed peptide BH26 (RGVTVPHNGESKDYSV)
Descriptor: BH26 peptide
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-08-24
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T61
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BU of 8t61 by Molmil
Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Descriptor: Designed peptide BH33
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T62
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BU of 8t62 by Molmil
Solution NMR structure of designed peptide BH21 (TMIEDPEAGHFHTSSA)
Descriptor: Designed peptide BH21
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
8T63
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BU of 8t63 by Molmil
Solution NMR structure of designed peptide PH1 (WHMWNTVPNAKQVIAA)
Descriptor: Designed peptide PH1
Authors:McShan, A.C, Torres, M.P.
Deposit date:2023-06-15
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Generative beta-hairpin design using a residue-based physicochemical property landscape.
Biophys.J., 2024
5C6Y
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BU of 5c6y by Molmil
A sperm whale myoglobin double mutant L29H/F43Y Mb with a Tyr-heme cross-link
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W, Tan, X.S.
Deposit date:2015-06-24
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:How a novel tyrosine-heme cross-link fine-tunes the structure and functions of heme proteins: a direct comparitive study of L29H/F43Y myoglobin
Dalton Trans, 44, 2015
7V7M
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BU of 7v7m by Molmil
crystal structure of SARS-CoV-2 3CL protease
Descriptor: 3C-like proteinase
Authors:Yi, Y, Zhang, M, Ye, M.
Deposit date:2021-08-21
Release date:2022-06-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
7X83
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BU of 7x83 by Molmil
Cryo-EM structure of the TMEM106B fibril from normal elder
Descriptor: Transmembrane protein 106B
Authors:Xia, W.C, Zhao, Q.Y, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
7X84
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BU of 7x84 by Molmil
Cryo-EM structure of the TMEM106B fibril from Parkinson's disease dementia
Descriptor: Transmembrane protein 106B
Authors:Zhao, Q.Y, Xia, W.C, Fan, Y, Sun, Y.P, Tao, Y.Q, Liu, C.
Deposit date:2022-03-11
Release date:2022-06-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Generic amyloid fibrillation of TMEM106B in patient with Parkinson's disease dementia and normal elders.
Cell Res., 32, 2022
7WMZ
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BU of 7wmz by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.916 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMX
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BU of 7wmx by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5,10-methylenetetrahydrofolate
Descriptor: Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMY
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BU of 7wmy by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis with 5-methyltetrahydrofolate
Descriptor: methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.266 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
7WMW
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BU of 7wmw by Molmil
Crystal structure of methylenetetrahydrofolate reductase MSMEG_6649 from Mycobacterium smegmatis
Descriptor: Methylenetetrahydrofolate reductase
Authors:Lin, W, Wang, W.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Structural and functional characterization of a mycobacterial methylenetetrahydrofolate reductase utilizing NADH as the exclusive cofactor.
Biochem.J., 480, 2023
5ENZ
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BU of 5enz by Molmil
S. aureus MnaA-UDP co-structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Fischmann, T.O.
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets.
Plos Pathog., 12, 2016
5F8W
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BU of 5f8w by Molmil
Crystal structure of a Crenomytilus grayanus lectin in complex with galactose
Descriptor: GLYCEROL, GalNAc/Gal-specific lectin, alpha-D-galactopyranose, ...
Authors:Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H.
Deposit date:2015-12-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
3GI2
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BU of 3gi2 by Molmil
Human dihydrofolate reductase Q35K mutant inhibitor complex
Descriptor: Dihydrofolate reductase, N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2009-03-05
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents.
J.Med.Chem., 52, 2009
3GIS
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BU of 3gis by Molmil
Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin
Descriptor: CALCIUM ION, Prothrombin, SULFATE ION, ...
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-03-06
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of thrombomodulin activation of slow thrombin
J.Thromb.Haemost., 7, 2009
3K45
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BU of 3k45 by Molmil
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Descriptor: 5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V.
Deposit date:2009-10-05
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
3K47
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BU of 3k47 by Molmil
Alternate Binding Modes Observed for the E- and Z-Isomers of 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Descriptor: 5-[(1E)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Pace, J, Queener, S.F, Gangjee, A.
Deposit date:2009-10-05
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
Bioorg.Med.Chem., 17, 2009
3KDH
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BU of 3kdh by Molmil
Structure of ligand-free PYL2
Descriptor: Putative uncharacterized protein At2g26040
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-22
Release date:2009-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
3KDJ
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BU of 3kdj by Molmil
Complex structure of (+)-ABA-bound PYL1 and ABI1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ...
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-23
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
8J0K
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BU of 8j0k by Molmil
Crystal structure of human TFAP2A in complex with DNA
Descriptor: DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*CP*GP*AP*GP*GP*CP*AP*G)-3'), GLYCEROL, ...
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0Q
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BU of 8j0q by Molmil
Structure of DNA binding domain of human TFAP2B
Descriptor: GLYCEROL, Transcription factor AP-2-beta
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
6BFG
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BU of 6bfg by Molmil
Crystal structure of monotopic membrane protein (S)-mandelate dehydrogenase
Descriptor: (S)-mandelate dehydrogenase, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:Sukumar, N.
Deposit date:2017-10-26
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the monotopic membrane protein (S)-mandelate dehydrogenase at 2.2 angstrom resolution.
Biochimie, 154, 2018
8J0R
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BU of 8j0r by Molmil
Structure of human TFAP2A in complex with DNA
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*AP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*TP*GP*AP*GP*GP*CP*AP*G)-3'), ...
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023

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